SCHEMBL7470787

SCHEMBL7470787

C[C](c1ccc(F)cc1)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALOX12 P18054 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM1A O60341 1/20 0.41
LIG1 P18858 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL20661617 0.82 LMNA (0.46) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL6002934 0.78 HSD11B1 (0.46) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL28324729 0.78 KMT2A (0.61) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL28877407 0.77 MTOR (0.43) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL9729472 0.76 NPC1 (0.47) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL958440 0.76 LIG1 (0.71) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL10418497 0.74 LIG1 (0.69) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL685157 0.72 KDM1A (0.81) KMT2AMAPTNPC1MEN1HPGD
SCHEMBL20659153 0.72 NAPRT (0.50) KMT2AMAPTNPC1MEN1HPGD
Salicylic Acid SCHEMBL21776713 0.71 HPGD (0.78) KMT2AMAPTNPC1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed