SCHEMBL1999092

SCHEMBL1999092

Cc1ccc2c(c1)c(C(=O)c1noc(-c3ccccn3)n1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(c1noc(-c2ccccn2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GRM5 P41594 1/20 0.35
LMNA P02545 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX12 P18054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRK1 P41145 3/20 0.34
FAAH O00519 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 3/20 0.34
PKM P14618 2/20 0.34
TSHR P16473 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
SCHEMBL2003537 0.96 GRM5 (0.38) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2005836 0.95 L3MBTL1 (0.41) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2004149 0.91 GRM5 (0.41) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2006918 0.88 FAAH (0.44) MEN1KMT2AMAPTFAAHCES1
SCHEMBL2005827 0.87 LMNA (0.43) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2002817 0.87 FAAH (0.40) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2006492 0.87 GRM5 (0.35) L3MBTL1GRM5LMNAMEN1KMT2A
SCHEMBL2001297 0.86 PLA2G2A (0.38) GRM5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2001504 0.86 FAAH (0.35) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL2002391 0.86 L3MBTL1 (0.39) L3MBTL1GRM5LMNAMEN1KMT2A

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