SCHEMBL1998684

SCHEMBL1998684

CCCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CCS2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
GAA P10253 6/20 0.57
RXFP1 Q9HBX9 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.48

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
SCHEMBL1996810 0.90 MEN1 (0.55) MAPTGAARXFP1MEN1KMT2A
SCHEMBL2000452 0.84 MAPT (0.56) MAPTGAARXFP1MEN1KMT2A
SCHEMBL1996799 0.81 MAPT (0.51) MAPTGAARXFP1MEN1KMT2A
SCHEMBL1998056 0.81 MAPT (0.51) MAPTGAARXFP1MEN1KMT2A
SCHEMBL2001642 0.81 RXFP1 (0.54) MAPTGAARXFP1ALDH1A1KDM4E
SCHEMBL2003685 0.81 MAPT (0.53) MAPTGAAALDH1A1KDM4EGLA
SCHEMBL1996888 0.80 MAPT (0.52) MAPTGAARXFP1MEN1KMT2A
SCHEMBL1996879 0.80 GFER (0.58) MAPTRXFP1MEN1KMT2AALDH1A1
SCHEMBL2003775 0.79 CNR1 (0.69) MAPTGAAALDH1A1KDM4EGLA
SCHEMBL1997619 0.75 MAPT (0.57) MAPTGAARXFP1KMT2AALDH1A1

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-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed