SCHEMBL9012773

SCHEMBL9012773

CC(=O)Cn1ccc(N=[N])n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PKM P14618 1/20 0.30
CNR2 P34972 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
SCHEMBL10242686 0.74 GAA (0.54) KMT2AKDM4CGAARAB9ANPC1
SCHEMBL22445331 0.74 KDM4C (0.36) KMT2AKDM4CGAAPOLBRAB9A
SCHEMBL12633755 0.73 ALDH1A1 (0.42) KMT2AKDM4CGAAPOLBRAB9A
SCHEMBL12091519 0.70 POLB (0.39) KMT2AKDM4CGAAPOLBLMNA
SCHEMBL14671141 0.69 LMNA (0.52) KMT2APOLBLMNASMN1; SMN2
SCHEMBL12633753 0.68 KMT2A (0.64) KMT2AGAAPOLBLMNAPKM
SCHEMBL23728182 0.62 KDM4C (0.40) KMT2AKDM4CPOLBRAB9ANPC1
SCHEMBL23728184 0.62 KDM4C (0.40) KMT2AKDM4CPOLBRAB9ANPC1
SCHEMBL20514382 0.61 NPC1 (0.32) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL25097166 0.61 KDM4C (0.59) KMT2AKDM4CGAAPOLBRAB9A

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-0492444-B1 Novel synthesis of pyrazole dyes EASTMAN KODAK CO (US) 1996-11-27 EP claimed