SCHEMBL31077641

SCHEMBL31077641

[N-]=[N+]=NC(=O)c1ccnc(-c2cc(C(=O)N=[N+]=[N-])ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 8/20 0.45
KDM4A O75164 6/20 0.45
KDM2A Q9Y2K7 5/20 0.45
KDM3A Q9Y4C1 5/20 0.45
KDM4E B2RXH2 5/20 0.45
KDM4C Q9H3R0 5/20 0.45
KDM6B O15054 3/20 0.45
JMJD6 Q6NYC1 6/20 0.44
P4HA1 P13674 1/20 0.44
KDM4B O94953 4/20 0.41
KDM5B Q9UGL1 4/20 0.41
ALDH1A1 P00352 1/20 0.39
KMO O15229 1/20 0.37

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
SCHEMBL29191838 0.83 TAS1R3 (0.39) KDM5CKDM4AKDM2AKDM3AKDM4E
SCHEMBL28396264 0.79 L3MBTL1 (0.41)
SCHEMBL14699587 0.77 NAPRT (0.46) KDM4EALDH1A1
SCHEMBL13641623 0.77 L3MBTL1 (0.44)
SCHEMBL28766354 0.74 GABRA1 (0.35) ALDH1A1
SCHEMBL18762041 0.74 GABRA1 (0.32)
SCHEMBL13909938 0.74 IDO1 (0.33) ALDH1A1
SCHEMBL28924563 0.73 PBRM1 (0.52) KDM4EKDM4CALDH1A1
SCHEMBL9232622 0.73 KDM5C (0.46) KDM5CKDM4AKDM2AKDM3AKDM4E
SCHEMBL13449660 0.72 CES1 (0.44) KDM4EALDH1A1

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
WO-2024172209-A1 DUAL-MODAL IRIDIUM-BASED SELF-INERT CHEMICAL SENSOR 고려대학교 산학협력단 2024-08-22 WO disclosed