SCHEMBL2003682

SCHEMBL2003682

O=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PPARG P37231 1/20 0.37
S1PR3 Q99500 3/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL2009968 0.95 MAPT (0.39) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2002564 0.93 L3MBTL1 (0.36) L3MBTL1MAPTLMNAALDH1A1ALOX12
SCHEMBL1996469 0.93 LMNA (0.42) MAPTLMNAALDH1A1ALOX12CYP1A2
SCHEMBL2002516 0.92 L3MBTL1 (0.36) L3MBTL1MAPTLMNAALDH1A1ALOX12
SCHEMBL2005862 0.92 MAPT (0.41) MAPTLMNAALDH1A1PPARGS1PR3
SCHEMBL2002629 0.91 PPARG (0.39) L3MBTL1MAPTLMNAALDH1A1ALOX12
SCHEMBL1999915 0.90 L3MBTL1 (0.39) L3MBTL1MAPTLMNAALDH1A1ALOX12
SCHEMBL2008306 0.89 L3MBTL1 (0.43) L3MBTL1MAPTLMNAALDH1A1ALOX12
SCHEMBL2006531 0.89 PLA2G2A (0.41) MAPTLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2005435 0.89 F2RL3 (0.40) LMNAPPARGALOX5AP

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