SCHEMBL4375603

SCHEMBL4375603

O=[N+]([O-])c1ccc[c]c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 5/20 0.53
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP7 P55210 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL28405351 0.91 TDP1 (0.44) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL7499271 0.86 APP (0.42) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL27636988 0.84 TDP1 (0.41) ALDH1A1TDP1KMT2AMEN1MAPK1
SCHEMBL10511751 0.84 GPR35 (0.44) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL14880715 0.82 TSHR (0.48) ALDH1A1TDP1KMT2AMEN1CYP1A2
SCHEMBL1206907 0.81 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMEN1HSD17B10
SCHEMBL8138795 0.80 ALDH1A1 (0.45) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL4649696 0.80 EIF4E (0.39) ALDH1A1TDP1CRHBPCRHR2KMT2A
SCHEMBL12472636 0.77 NPC1 (0.51) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL2221801 0.76 HPGD (0.45) ALDH1A1TDP1KMT2AMEN1HSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256486-B1 A METHOD OF PRODUCING ALKALI METAL BENZENESULFINATES SEITETSU KAGAKU CO. LTD. (JP) 1990-12-05 EP claimed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US claimed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP claimed
JP-1040457-A None JP disclosed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US disclosed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
EP-0256486-B1 A METHOD OF PRODUCING ALKALI METAL BENZENESULFINATES SEITETSU KAGAKU CO. LTD. (JP) 1990-12-05 EP disclosed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US disclosed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US disclosed
JP-S6440457-A PRODUCTION OF NITROPHENYLPHENYLSULFONES SEITETSU KAGAKU CO LTD 1989-02-10 JP disclosed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP disclosed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP disclosed
EP-0042026-A1 3,4-Disubstituted azetidin-2-on compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-12-23 EP disclosed
EP-0003960-A1 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-19 EP disclosed