SCHEMBL2003234

SCHEMBL2003234

CCOc1ccc2c(c1)c(C(=O)c1nc(-c3ccncn3)no1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
ALOX5AP P20292 3/20 0.33
SLC26A4 O43511 1/20 0.33
POLB P06746 1/20 0.33
EDNRB P24530 4/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
F10 P00742 1/20 0.32
ALOX5 P09917 1/20 0.32
PLA2G2A P14555 1/20 0.32
CHRNA7 P36544 1/20 0.32
TP53 P04637 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
SCHEMBL2003124 0.94 PLA2G2A (0.37) LMNASMN1; SMN2MAPTALOX5APCYP3A4
SCHEMBL2003287 0.92 LMNA (0.34) LMNASMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL2007692 0.91 ALOX5AP (0.39) LMNASMN1; SMN2MAPTALOX5APCYP3A4
SCHEMBL2002732 0.91 LMNA (0.33) LMNASMN1; SMN2MAPTALOX5APSLC26A4
SCHEMBL2001259 0.90 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTALOX5APEDNRB
SCHEMBL2001583 0.90 LMNA (0.40) LMNASMN1; SMN2MAPTPOLBEDNRB
SCHEMBL2007239 0.89 TP53 (0.35) LMNASMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL2004749 0.89 L3MBTL1 (0.36) LMNASMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL2003311 0.87 PLA2G2A (0.42) LMNAMAPTCYP3A4CYP2C9PLA2G2A
SCHEMBL2002148 0.87 LMNA (0.34) LMNASMN1; SMN2MAPTALOX5APSLC26A4

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