SCHEMBL25969203

SCHEMBL25969203

C=C(N)CCCCCCCCCCCCCCCCCCCCCCCCCNC(=C)CCCCCNC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ADRA1A P35348 1/20 0.32
PLA2G2A P14555 1/20 0.31
PRMT1 Q99873 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL22623220 0.98 EPHX1 (0.34) EPHX1KDM4AKDM4CADRA1APLA2G2A
SCHEMBL22508903 0.88 EPHX1 (0.44) EPHX1KDM4AKDM4CADRA1A
SCHEMBL21153756 0.84 ADRA1A (0.32) ADRA1A
SCHEMBL22295960 0.79 EPHX1 (0.52) EPHX1PLA2G2A
SCHEMBL20979271 0.79 EPHX2 (0.34) EPHX1KDM4AKDM4C
SCHEMBL26479933 0.79 PRMT1 (0.33) ADRA1APLA2G2APRMT1
SCHEMBL25921070 0.79 EPHX1 (0.44) EPHX1KDM4AKDM4CADRA1APLA2G2A
SCHEMBL24421542 0.77 ADRA1A (0.31) ADRA1A
SCHEMBL22218934 0.76 ALDH1A1 (0.41) EPHX1
SCHEMBL25725861 0.76 ADRA1A (0.30) ADRA1A

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-4223318-A1 ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2023-08-09 EP disclosed