SCHEMBL3401190

SCHEMBL3401190

COC(=O)c1cccc(NC(=O)C2CN(Cc3ccccc3)C2)c1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.49
SCN4A P35499 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 2/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CXCR2 P25025 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3396366 0.90 HSD17B10 (0.56) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL3401687 0.89 KDM4E (0.61) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL206214 0.83 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL3434303 0.79 NPSR1 (0.66) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL5121387 0.78 KDM4E (0.67) MEN1KMT2AKDM4EHSD17B10POLB
SCHEMBL206204 0.77 SMN1; SMN2 (0.62) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL206309 0.76 HSD17B10 (0.55) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL206203 0.76 KDM4E (0.46) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL6616917 0.72 S1PR5 (0.60) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL3401612 0.72 KMT2A (0.47) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed