SCHEMBL17226367

SCHEMBL17226367

Cc1ccc(-c2nc3ccccc3o2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
HPGD P15428 8/20 0.49
KDM4E B2RXH2 7/20 0.49
MAPT P10636 5/20 0.49
USP2 O75604 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 9/20 0.49
RAB9A P51151 7/20 0.49
HSD17B10 Q99714 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HCRTR1 O43613 3/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL29392124 0.89 NPC1 (0.55) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL39752 0.89 NPC1 (0.55) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL10236278 0.82 F2RL3 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL10279218 0.82 NPC1 (0.49) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL5313990 0.81 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13183738 0.80 HSD17B10 (0.59) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL29531707 0.79 NPC1 (0.69) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL824375 0.79 NPC1 (0.69) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL2590623 0.78 GPR119 (0.52) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL12564963 0.76 RPS6KB2 (0.51) ALDH1A1HPGDKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed