SCHEMBL2002391

SCHEMBL2002391

O=C(c1noc(-c2ccccn2)n1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GRM5 P41594 1/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
EPHX2 P34913 1/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
GRM4 Q14833 1/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR39 O43194 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL2004941 0.95 GRM5 (0.38) L3MBTL1GRM5LMNAMAPTALDH1A1
SCHEMBL2002093 0.92 LMNA (0.40) L3MBTL1GRM5LMNAMAPTALDH1A1
SCHEMBL2006492 0.92 GRM5 (0.35) L3MBTL1GRM5LMNAMAPTALDH1A1
SCHEMBL2005962 0.90 L3MBTL1 (0.35) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2005836 0.90 L3MBTL1 (0.41) L3MBTL1GRM5LMNAMAPTALDH1A1
SCHEMBL2000835 0.90 PLA2G2A (0.38) GRM5MAPTCYP2C9CYP1A2CYP2D6
SCHEMBL2003268 0.89 ALOX5AP (0.36) GRM5LMNAMAPTFAAHCES1
SCHEMBL2005642 0.87 GRM5 (0.39) L3MBTL1GRM5LMNAMAPTALDH1A1
SCHEMBL2003892 0.87 L3MBTL1 (0.36) L3MBTL1LMNAMAPTALDH1A1ALOX12
SCHEMBL2008404 0.86 L3MBTL1 (0.39) L3MBTL1LMNAMAPTALDH1A1ALOX12

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