SCHEMBL30682004

SCHEMBL30682004

COC(=O)c1cc2ccn(C)c2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NR4A2 P43354 3/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL26617777 1.00 KDM4E (0.40) KDM4ERXFP1ABL1ALDH1A1SMN1; SMN2
SCHEMBL8832483 0.84 KDM4E (0.41) KDM4ERXFP1ALDH1A1SMN1; SMN2NR4A2
SCHEMBL31345628 0.83 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL26617809 0.83 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCASP1
SCHEMBL31497542 0.83 KDM4E (0.39) KDM4ERXFP1ABL1ALDH1A1SMN1; SMN2
SCHEMBL26984647 0.82 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NR4A2HPGD
SCHEMBL31466863 0.82 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NR4A2HPGD
SCHEMBL30612180 0.75 KDM4E (0.56) KDM4EABL1ALDH1A1SMN1; SMN2NR4A2
SCHEMBL26106242 0.75 KDM4E (0.56) KDM4EABL1ALDH1A1SMN1; SMN2NR4A2
SCHEMBL31497518 0.74 DGAT1 (0.39) KDM4ERXFP1ALDH1A1SMN1; SMN2MAPT

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
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed