SCHEMBL2006285

SCHEMBL2006285

O=C(c1cnc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
PPARG P37231 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2007363 0.93 ALOX5AP (0.40) HSD17B10MAPTPPARGALOX15ALOX12
SCHEMBL2001978 0.92 FAAH (0.45) HSD17B10MAPTALOX15ALOX12MEN1
SCHEMBL2004625 0.92 CYP2C9 (0.40) MAPTALOX12CYP3A4TSHRKMT2A
SCHEMBL2003496 0.91 ALDH1A1 (0.40) MEN1CYP3A4KMT2AMAPK1LMNA
SCHEMBL2012906 0.91 MAPT (0.44) HSD17B10MAPTPPARGALOX15ALOX12
SCHEMBL2005932 0.90 MEN1 (0.46) MAPTMEN1CYP3A4TSHRKMT2A
SCHEMBL2004973 0.89 PTGES2 (0.42) HSD17B10MAPTPPARGALOX15ALOX12
SCHEMBL2003159 0.89 ALOX5AP (0.46) HSD17B10MAPTMEN1CYP3A4TSHR
SCHEMBL2003925 0.88 ALOX5 (0.39) HSD17B10MAPTPPARGALOX15ALOX12
SCHEMBL2004901 0.87 MAPT (0.36) HSD17B10MAPTPPARGALOX15ALOX12

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