SCHEMBL2003876

SCHEMBL2003876

CCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
EDNRB P24530 4/20 0.33
ALOX5AP P20292 3/20 0.32
ALOX5 P09917 1/20 0.32
PLA2G2A P14555 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
F10 P00742 2/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL2005382 0.94 PLA2G2A (0.38) SLC26A4POLBLMNAMAPTPLA2G2A
SCHEMBL2003216 0.91 LMNA (0.35) LMNASMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL2008598 0.91 ALOX5AP (0.40) SLC26A4LMNASMN1; SMN2MAPTALOX5AP
SCHEMBL2004327 0.91 F2RL3 (0.34) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2011749 0.90 LMNA (0.38) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2005116 0.90 LMNA (0.42) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2002612 0.89 FAAH (0.35) LMNASMN1; SMN2MAPTTP53
SCHEMBL2006179 0.88 L3MBTL1 (0.37) LMNAMAPTCYP3A4CYP2C9
SCHEMBL2005115 0.88 ALOX5AP (0.37) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2005952 0.88 SLC26A4 (0.37) SLC26A4POLBLMNASMN1; SMN2MAPT

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