SCHEMBL28871817

SCHEMBL28871817

O=C(NNc1ccccc1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.63
KDM4E B2RXH2 3/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDR P35968 2/20 0.58
LMNA P02545 2/20 0.58
OPRK1 P41145 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
TLR7 Q9NYK1 3/20 0.57
ALDH1A1 P00352 1/20 0.57
PTGS2 P35354 3/20 0.56
GRM4 Q14833 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAPT P10636 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL28871787 0.88 TLR7 (0.69) KDM5AKDM4EHTTSMN1; SMN2KDR
SCHEMBL28871775 0.87 KDM4E (0.55) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL28871740 0.87 TLR7 (0.70) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL28871786 0.87 TLR7 (0.58) KDM5AKDM4EHTTTLR7ALDH1A1
SCHEMBL28871768 0.87 KDR (0.60) KDM5AKDM4EHTTSMN1; SMN2KDR
SCHEMBL1147702 0.85 KDM4E (0.73) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL28871718 0.84 GRM4 (0.76) KDM5ASMN1; SMN2KDRKCNK3KCNK9
SCHEMBL28871729 0.83 GRM4 (0.61) KDM5AKDM4EHTTSMN1; SMN2KDR
SCHEMBL231897 0.83 KDR (0.78) KDM4ESMN1; SMN2KDRKCNK3KCNK9
SCHEMBL29945528 0.83 TLR7 (0.57) KDM5AKDM4EHTTSMN1; SMN2KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108978-B Pyridine formylhydrazine plant antifungal medicine 西北农林科技大学 2024-05-24 CN disclosed
CN-115108978-A Pyridine formyl hydrazine plant antifungal drugs 西北农林科技大学 2022-09-27 CN disclosed