SCHEMBL2008751

SCHEMBL2008751

COc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
GNAI1 P63096 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
PLA2G2A P14555 6/20 0.37
ACHE P22303 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL2005115 0.93 ALOX5AP (0.37) MAPTALDH1A1LMNAALOX5ALOX5AP
SCHEMBL2001464 0.92 MEN1 (0.44) MAPTMEN1RGS12ALDH1A1LMNA
SCHEMBL2006959 0.92 MAPT (0.36) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL2006911 0.91 PLA2G2A (0.37) MAPTMEN1RGS12ALDH1A1LMNA
SCHEMBL2008123 0.90 ACHE (0.41) MAPTMEN1RGS12ALDH1A1LMNA
SCHEMBL2003542 0.90 MAPT (0.39) MAPTMEN1RGS12ALDH1A1LMNA
SCHEMBL2007905 0.90 FAAH (0.37) MAPTMEN1ALDH1A1LMNACYP1A2
SCHEMBL2005712 0.89 L3MBTL1 (0.37) MAPTMEN1ALDH1A1LMNACYP1A2
SCHEMBL2005382 0.89 PLA2G2A (0.38) MAPTMEN1RGS12ALDH1A1LMNA
SCHEMBL2010615 0.88 LMNA (0.41) MAPTMEN1ALDH1A1LMNACYP1A2

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