SCHEMBL396708

SCHEMBL396708

O=C1Cc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.57
KCNK9 Q9NPC2 6/20 0.57
CRBN Q96SW2 2/20 0.55
TRPV1 Q8NER1 2/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TP53 P04637 1/20 0.53
SIRT1 Q96EB6 1/20 0.52
POLB P06746 2/20 0.52
PARP1 P09874 1/20 0.52
MAPT P10636 1/20 0.52
SMYD3 Q9H7B4 1/20 0.51

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
SCHEMBL23143565 0.92 TRPV1 (0.56) CRBNTRPV1SMYD3
SCHEMBL395950 0.90 TRPV1 (0.59) KCNK3KCNK9CRBNTRPV1TP53
SCHEMBL3660176 0.82 SMYD3 (0.58) TRPV1SMYD3
SCHEMBL31139504 0.82 SMYD3 (0.58) TRPV1SMYD3
SCHEMBL5842454 0.82 TLK2 (0.57) KCNK3KCNK9TP53SMYD3
SCHEMBL24124323 0.82 TRPV1 (0.50) CRBNTRPV1SIRT1SMYD3
SCHEMBL25921128 0.81 GPR27 (0.60) TRPV1KMT2AMEN1POLBMAPT
SCHEMBL3581648 0.80 KCNK3 (0.54) KCNK3KCNK9CRBNKMT2AMEN1
SCHEMBL29899567 0.80 BACE1 (0.56) CRBNTRPV1KMT2AMEN1TP53
SCHEMBL23143516 0.80 BACE1 (0.56) CRBNTRPV1KMT2AMEN1TP53

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-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed