SCHEMBL6744135

SCHEMBL6744135

O=C1Cc2ccc(NC(=O)C3CCCC3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.64
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ PTPN1 P18031 1/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ CDK9 P50750 1/20 0.50
▸ FABP7 O15540 1/20 0.50
▸ FABP5 Q01469 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47

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
SCHEMBL23175679 0.84 SMYD3 (0.56) SMYD3PTPN1NPC1
SCHEMBL3662896 0.79 CRBN (0.52) SMYD3MAOACRBN
SCHEMBL7533313 0.79 AHR (0.50) SMYD3FABP7FABP5CRBN
SCHEMBL21489762 0.78 SMYD3 (1.00) SMYD3
SCHEMBL19710217 0.78 SMYD3 (1.00) SMYD3
SCHEMBL23143564 0.74 SMYD3 (0.68) SMYD3PTPN1NPC1CRBN
SCHEMBL10576398 0.74 CMA1 (0.49) SMYD3FABP7FABP5CRBN
SCHEMBL395950 0.74 TRPV1 (0.59) PTPN1CASP3NPC1CRBN
SCHEMBL396156 0.74 DDX3X (0.59) SMYD3ALDH1A1FABP7FABP5CRBN
SCHEMBL6265770 0.72 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 — — US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 — — WO disclosed
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