SCHEMBL2003268

SCHEMBL2003268

CCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccccn3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
GPR39 O43194 1/20 0.34
EDNRB P24530 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
ALOX5 P09917 1/20 0.33
GRM4 Q14833 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL2000835 0.94 PLA2G2A (0.38) ALOX5APF2RL3MAPTGRM5GPR39
SCHEMBL2004941 0.92 GRM5 (0.38) LMNASMN1; SMN2MAPTGRM5GPR39
SCHEMBL2004879 0.91 ALOX5AP (0.33) ALOX5APLMNASMN1; SMN2F2RL3MAPT
SCHEMBL2006974 0.91 LMNA (0.38) ALOX5APLMNASMN1; SMN2MAPTGRM5
SCHEMBL2006492 0.90 GRM5 (0.35) ALOX5APLMNASMN1; SMN2MAPTGRM5
SCHEMBL2002391 0.89 L3MBTL1 (0.39) ALOX5APLMNASMN1; SMN2MAPTGRM5
SCHEMBL2002093 0.89 LMNA (0.40) LMNASMN1; SMN2MAPTGRM5GPR39
SCHEMBL2003150 0.89 S1PR1 (0.35) ALOX5APLMNASMN1; SMN2F2RL3MAPT
SCHEMBL2007600 0.88 S1PR1 (0.40) ALOX5APLMNASMN1; SMN2F2RL3MAPT
SCHEMBL2004340 0.87 F2RL3 (0.37) ALOX5APLMNASMN1; SMN2F2RL3MAPT

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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed