SCHEMBL2007246

SCHEMBL2007246

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 10/20 0.37
ALOX5 P09917 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC26A4 O43511 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
EDNRB P24530 1/20 0.35

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
SCHEMBL2008123 0.93 ACHE (0.41) LMNAALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2002167 0.92 ALOX5AP (0.43) LMNAALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2000474 0.91 LMNA (0.41) LMNASMN1; SMN2CYP3A4CYP2C9MAPT
SCHEMBL2002746 0.91 F2RL3 (0.37) LMNASMN1; SMN2ALOX5APALOX5CYP3A4
SCHEMBL2005115 0.90 ALOX5AP (0.37) LMNASMN1; SMN2ALOX5APALOX5MAPT
SCHEMBL2011328 0.90 LMNA (0.40) LMNASMN1; SMN2ALOX5APCYP3A4CYP2C9
SCHEMBL2008873 0.89 LMNA (0.38) LMNASMN1; SMN2ALOX5APCYP3A4CYP2C9
SCHEMBL2004385 0.89 LMNA (0.43) LMNASMN1; SMN2ALOX5APCYP3A4CYP2C9
SCHEMBL2003907 0.88 L3MBTL1 (0.41) LMNASMN1; SMN2CYP3A4CYP2C9MAPT
SCHEMBL2011749 0.88 LMNA (0.38) LMNASMN1; SMN2ALOX5APMAPTALDH1A1

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