SCHEMBL2004340

SCHEMBL2004340

CCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX5AP P20292 5/20 0.35
EDNRB P24530 3/20 0.34
MAPT P10636 1/20 0.34
SLC26A4 O43511 1/20 0.33
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.33
FAAH O00519 2/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2003372 0.94 PLA2G2A (0.38) F2RL3ALOX5APMAPTOPRK1KDM4E
SCHEMBL2004659 0.92 KDM4E (0.37) LMNAMAPTOPRK1FAAHCES1
SCHEMBL2004999 0.91 ALOX5AP (0.40) SMN1; SMN2ALOX5APMAPTOPRK1
SCHEMBL2004327 0.91 F2RL3 (0.34) F2RL3LMNASMN1; SMN2ALOX5APEDNRB
SCHEMBL2002744 0.91 F2RL3 (0.40) F2RL3LMNASMN1; SMN2ALOX5APEDNRB
SCHEMBL2011749 0.91 LMNA (0.38) F2RL3LMNASMN1; SMN2ALOX5APEDNRB
SCHEMBL2001936 0.90 OPRK1 (0.36) LMNASMN1; SMN2MAPTOPRK1FAAH
SCHEMBL2008404 0.89 L3MBTL1 (0.39) LMNAMAPTOPRK1FAAHCES1
SCHEMBL2003477 0.89 LMNA (0.40) LMNASMN1; SMN2MAPTOPRK1FAAH
SCHEMBL2005391 0.89 F2RL3 (0.37) F2RL3LMNASMN1; SMN2FAAH

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