SCHEMBL7864774

SCHEMBL7864774

O=[C]COc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ LMNA P02545 3/20 0.36
▸ LTA4H P09960 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2170360 0.83 CA12 (0.42) KMT2ANPSR1LMNATSHRL3MBTL1
SCHEMBL4812324 0.77 MAOB (0.49) SMN1; SMN2CYP3A4CYP2D6HDAC8HSD17B10
SCHEMBL24458 0.76 KCNA3 (0.50) LMNALTA4HHDAC8CYP2C9CYP2C19
SCHEMBL2004098 0.75 CHRNB2 (0.54) NPSR1LMNARAB9A
SCHEMBL11478548 0.74 KCNH2 (0.40) SMN1; SMN2KMT2ANPSR1CYP3A4CYP2D6
SCHEMBL514644 0.73 L3MBTL1 (0.47) NPSR1CYP3A4LMNAGAANPC1
SCHEMBL6978990 0.73 TDP1 (0.52) SMN1; SMN2CYP3A4GAANPC1TSHR
SCHEMBL2641227 0.73 LTA4H (0.47) KMT2ALMNALTA4HCYP1A2CYP2C19
SCHEMBL99544 0.73 DAO (0.43) CYP2D6NPC1CYP1A2CYP2C19L3MBTL1
SCHEMBL514661 0.73 APP (0.42) KMT2ANPC1KDM4EALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 — — EP claimed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 — — US claimed
US-4895941-A Process for preparing 2α-methyl-2β-(1,2,3-triazol-1-yl)methylpenam-3α-carboxylic acid derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 — — US claimed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 — — EP claimed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 — — US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 — — US disclosed
US-5389626-A 3-aryloxmethyl-cephalosporin derivatives, and their medical use SANKYO COMPANY, LIMITED (JP) 1995-02-14 — — US disclosed
EP-0280240-B1 Cephalosporin derivatives, process for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-09-14 — — EP disclosed
EP-0331395-B1 PROCESS FOR PREPARING 2-ALPHA-METHYL-2-BETA-(1,2,3-TRIAZOL-1-YL)METHYL-PENAM-3-ALPHA-CARBOXYLIC ACID DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-11-11 — — EP disclosed
US-5162522-A Method for producing cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 — — US disclosed
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 — — EP disclosed
US-5049665-A Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-17 — — US disclosed
EP-0230972-A2 Method of producing cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-08-05 — — EP disclosed
US-4680390-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-14 — — US disclosed
US-4520194-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-28 — — US disclosed
US-4510138-A 7-[2-(2-Aminothiazol-4-yl)-2-(syn)-methoxyiminoacetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-09 — — US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 — — US disclosed
US-4182866-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 — — US disclosed
US-4145540-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-20 — — US disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 — — US disclosed
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