SCHEMBL13680732

SCHEMBL13680732

CNC(=S)c1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 2/20 0.45
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
PPARA Q07869 2/20 0.42
GAA P10253 2/20 0.41
AOC3 Q16853 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 4/20 0.37
SREBF2 Q12772 1/20 0.36
PRMT1 Q99873 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL13680731 0.82 CYP3A4 (0.46) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680527 0.81 RAB9A (0.66) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680733 0.81 CYP2E1 (0.45) RAB9ANPC1SMN1; SMN2MAPTCYP2E1
SCHEMBL8198560 0.79 CYP3A4 (0.60) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680734 0.78 CYP2E1 (0.43) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL7905176 0.77 CYP3A4 (0.58) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13681265 0.77 AOC3 (0.51) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680478 0.76 KDM4E (0.62) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680487 0.76 ALDH1A1 (0.49) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL13680524 0.75 MAPT (0.58) RAB9ANPC1POLBSMN1; SMN2MAPT

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