SCHEMBL13680481

SCHEMBL13680481

CNC(=O)Oc1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 1/20 0.48
PPARA Q07869 1/20 0.47
AOC3 Q16853 2/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL13680525 0.84 RAB9A (0.49) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL13680480 0.82 AOC3 (0.51) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL27759452 0.80 AOC3 (0.52) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL13680526 0.80 RAB9A (0.54) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL13680527 0.78 RAB9A (0.66) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL13680939 0.77 MAPT (0.47) RAB9APOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL8198560 0.76 CYP3A4 (0.60) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL13680489 0.75 SMN1; SMN2 (0.47) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL13680523 0.75 RAB9A (0.51) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL2096148 0.75 MAPT (0.61) RAB9ANPC1POLBALDH1A1KDM4E

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed