SCHEMBL24310642

SCHEMBL24310642

CCC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.52
KDM5A P29375 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
RBP4 P02753 1/20 0.52
KLKB1 P03952 1/20 0.48
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
RIPK1 Q13546 2/20 0.45
USP30 Q70CQ3 1/20 0.45
HPGDS O60760 1/20 0.43
KDM4A O75164 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL24310337 0.88 KDM4C (0.50) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL16690901 0.84 RBP4 (0.54) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL3688462 0.84 KDM4C (0.57) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL23188881 0.83 RBP4 (0.48) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL1129548 0.83 KLKB1 (0.47) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL15964744 0.81 RBP4 (0.54) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL9248509 0.81 LMNA (0.60) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL18367381 0.81 CDK5 (0.53) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL16689551 0.81 RBP4 (0.51) KDM4CKDM5AKDM5BRBP4KLKB1
SCHEMBL18377475 0.81 KLKB1 (0.56) KDM4CKDM5AKDM5BRBP4KLKB1

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
EP-3978492-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-04-06 EP disclosed