SCHEMBL13680574

SCHEMBL13680574

CCN(CC)C(=O)Nc1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
POLB P06746 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
PPARA Q07869 2/20 0.44
MAOA P21397 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CDC7 O00311 1/20 0.42
EEF2K O00418 1/20 0.42
PLK4 O00444 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL13680476 0.85 TSHR (0.47) RAB9APOLBNPC1SMN1; SMN2PPARA
SCHEMBL13680522 0.80 RAB9A (0.55) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL13680947 0.80 TP53 (0.46) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL13680537 0.79 KIF11 (0.54) RAB9APOLBNPC1SMN1; SMN2PPARA
SCHEMBL13680489 0.78 SMN1; SMN2 (0.47) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL13680523 0.78 RAB9A (0.51) RAB9APOLBNPC1SMN1; SMN2PPARA
SCHEMBL3302544 0.76 POLB (0.69) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL13680741 0.73 KIF11 (0.43) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL12994648 0.73 POLB (0.66) RAB9APOLBNPC1SMN1; SMN2TP53
SCHEMBL8198560 0.72 CYP3A4 (0.60) RAB9APOLBNPC1SMN1; SMN2TP53

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