SCHEMBL31322972

SCHEMBL31322972

Clc1nccc(-c2cccc(-c3ccon3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLCG2 P16885 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL26775415 1.00 KDM4E (0.38) KDM4ECCR1CCR5CCR8TP53
SCHEMBL26775085 0.82 KMO (0.41) KDM4ESMN1; SMN2L3MBTL1PLCG2NPC1
SCHEMBL18171776 0.77 GABRA1 (0.41) KDM4ECCR1CCR5CCR8TP53
SCHEMBL29640873 0.76 CCR1 (0.40) KDM4ECCR1CCR5CCR8TP53
SCHEMBL26774950 0.76 LMNA (0.41) KDM4ECCR1CCR5CCR8TP53
SCHEMBL26775031 0.73 KDM4E (0.33) KDM4ECCR1CCR5CCR8TP53
SCHEMBL28934089 0.72
SCHEMBL30259314 0.72 CTSS (0.42) KDM4ECCR1CCR5CCR8TP53
SCHEMBL1536559 0.72 KDM4E (0.61) KDM4ECCR1CCR5CCR8TP53
SCHEMBL30564803 0.70 KDM4E (0.61) KDM4ECCR1CCR5CCR8TP53

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
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed