SCHEMBL1999686

SCHEMBL1999686

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
ALOX12 P18054 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.39
CCR2 P41597 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
PPARG P37231 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL2005563 0.95 LMNA (0.45) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2008306 0.95 L3MBTL1 (0.43) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2008233 0.94 LMNA (0.39) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2004625 0.92 CYP2C9 (0.40) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2002932 0.92 PLA2G2A (0.43) MAPTLMNACYP3A4TSHRALDH1A1
SCHEMBL2012906 0.91 MAPT (0.44) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2003941 0.91 P2RX7 (0.38) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2011328 0.91 LMNA (0.40) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2006426 0.89 LMNA (0.43) MAPTLMNAALOX12CYP3A4TSHR
SCHEMBL2009968 0.89 MAPT (0.39) MAPTLMNAALOX12CYP3A4TSHR

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