SCHEMBL2002340

SCHEMBL2002340

O=C(c1nnc(-c2ccncc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 1/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PPARG P37231 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL2004494 0.93 MAPK1 (0.52) MAPK1LMNAPKMHTTMEN1
SCHEMBL2006414 0.93 MAPK1 (0.51) MAPK1LMNAPKMHTTMEN1
SCHEMBL2003580 0.91 MAPT (0.44) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2005079 0.91 MAPK1 (0.49) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2002436 0.90 LMNA (0.55) MAPK1LMNAPKMHTTMEN1
SCHEMBL2007585 0.90 LMNA (0.49) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2003845 0.89 RAB9A (0.45) MAPK1LMNAHTTMEN1KMT2A
SCHEMBL2005841 0.89 MAPK1 (0.47) MAPK1LMNAPKMMEN1KMT2A
SCHEMBL2006431 0.88 MAPK1 (0.50) MAPK1LMNAPKMHTTMEN1
SCHEMBL2012543 0.87 LMNA (0.39) MAPK1LMNAPKMMEN1KMT2A

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