SCHEMBL3718581

SCHEMBL3718581

NC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
KDM1A O60341 1/20 0.56
CASP1 P29466 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
MAP4K4 O95819 1/20 0.50
MAP2K4 P45985 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
KDM4B O94953 1/20 0.48
KDM5C P41229 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
P2RY14 Q15391 2/20 0.47
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
DHODH Q02127 1/20 0.47
PARP1 P09874 1/20 0.46
CHEK2 O96017 1/20 0.44
AURKA O14965 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
SCHEMBL29932964 1.00 HDAC1 (0.56) HDAC1KDM1ACASP1KDM2BKDM4C
SCHEMBL30614605 0.86 KDM4C (0.65) HDAC1KDM1AKDM2BKDM4CMAP4K4
SCHEMBL1758387 0.85 KDM5B (0.52) HDAC1KDM1AKDM4CMAP4K4TRPV1
SCHEMBL27962521 0.85 MAP4K4 (0.57) HDAC1KDM1ACASP1MAP4K4MAP2K4
SCHEMBL28856057 0.83 MAP4K4 (0.54) KDM4CMAP4K4KDM4BKDM5CKDM5B
SCHEMBL1592852 0.82 KDM4B (0.58) CASP1MAP4K4KDM4BKDM5CKDM5B
SCHEMBL1758489 0.81 SCN10A (0.62) KDM2BKDM4CMAP4K4KDM4BKDM5C
SCHEMBL581356 0.81 KDM4C (0.58) HDAC1KDM1AKDM2BKDM4CTRPV1
SCHEMBL1076389 0.81 KDM4B (0.45) HDAC1KDM1AKDM2BKDM4CMAP2K4
SCHEMBL28907344 0.81 KDM4B (0.56) KDM4CMAP4K4KDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN disclosed
CN-108473462-A Pyrazoles-pyridine derivate as EAAT3 inhibitor 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
CN-107922381-A PYRIDINE OR PYRIMIDINE DERIVATIVES 豪夫迈·罗氏有限公司 2018-04-17 CN disclosed
CN-107709311-A The carboxamides derivatives of 2 phenyl, 6 imidazolyl pyridines 4 and its purposes as EAAT3 inhibitor 豪夫迈·罗氏有限公司 2018-02-16 CN disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed