SCHEMBL1821161

SCHEMBL1821161

NC(=O)Oc1[nH]c2cc(CNCc3cc(Cl)cc(Cl)c3O)ccc2c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
GRIN1 Q05586 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL1823959 0.87 TP53 (0.48) TP53MAPTMEN1KMT2APOLB
SCHEMBL1616170 0.87 TP53 (0.45) TP53MAPTCA12CA1CA2
SCHEMBL1826130 0.85 TP53 (0.44) TP53MAPTMEN1KMT2APOLB
SCHEMBL1823976 0.83 MEN1 (0.43) TP53MAPTMEN1KMT2APOLB
SCHEMBL1822442 0.82 TP53 (0.42) TP53MAPTMEN1KMT2APOLB
SCHEMBL1826315 0.82 TP53 (0.42) TP53MAPTMEN1KMT2APOLB
SCHEMBL1826145 0.82 TP53 (0.40) TP53MAPTGRIN1MEN1KMT2A
SCHEMBL1823504 0.82 TP53 (0.49) TP53MAPTMEN1KMT2APOLB
SCHEMBL1824783 0.82 MAPT (0.44) TP53MAPTMEN1KMT2APOLB
SCHEMBL1822579 0.81 TP53 (0.41) TP53MAPTMEN1KMT2APOLB

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
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP claimed