SCHEMBL11564945

SCHEMBL11564945

Cc1coc(CCc2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 2/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
AOC3 Q16853 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
CHI3L1 P36222 1/20 0.36
CHIT1 Q13231 1/20 0.36
CHI3L2 Q15782 1/20 0.36
CHIA Q9BZP6 1/20 0.36
OPRL1 P41146 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL11558024 0.84 KMT2A (0.45) ALDH1A1RAB9ALMNANPC1
SCHEMBL11557714 0.82 NPC1 (0.45) ALDH1A1RAB9ALMNANPC1
SCHEMBL18704101 0.71 ALDH1A1 (0.40) ALDH1A1TAAR1AOC3
SCHEMBL11542537 0.70 HSD17B10 (0.48) RAB9ALMNANPC1
SCHEMBL21894058 0.70
SCHEMBL2135113 0.69 TAAR1 (0.68) TAAR1LMNAAOC3
SCHEMBL11563998 0.69 TAAR1 (0.42) TAAR1GALR3
SCHEMBL11558189 0.69 SMN1; SMN2 (0.50) ALDH1A1RAB9ALMNA
SCHEMBL12098009 0.69
SCHEMBL12809556 0.68 CNR2 (0.55) ALDH1A1TAAR1RAB9ANPC1AOC3

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
US-4168379-A Pyridin-3-ols BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed