SCHEMBL13680489

SCHEMBL13680489

COC(=O)Nc1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 5/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 4/20 0.45
PPARA Q07869 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL13680522 0.85 RAB9A (0.55) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680537 0.84 KIF11 (0.54) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680523 0.82 RAB9A (0.51) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680476 0.81 TSHR (0.47) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680524 0.79 MAPT (0.58) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680748 0.78 CYP2E1 (0.40) RAB9ANPC1POLBPPARAALDH1A1
SCHEMBL13680574 0.78 RAB9A (0.49) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680741 0.78 KIF11 (0.43) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL13680934 0.77 TP53 (0.51) SMN1; SMN2KMT2AMEN1POLBL3MBTL1
SCHEMBL8198560 0.77 CYP3A4 (0.60) SMN1; SMN2RAB9AKMT2ANPC1MEN1

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