SCHEMBL9748869

SCHEMBL9748869

CCOC(=O)c1c(-c2nccc3ccccc23)n[nH]c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
CDC25B P30305 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL9749016 0.86 KMT2A (0.45) KMT2ARAB9ANPC1KDM4EPOLB
SCHEMBL9748822 0.86 KDM4E (0.44) KMT2ARAB9ANPC1KDM4EPOLB
SCHEMBL9749032 0.83 KDM4E (0.40) KMT2ARAB9ANPC1KDM4ETP53
SCHEMBL10921548 0.80 TDP2 (0.42) KMT2ARAB9ANPC1KDM4EHSD17B10
SCHEMBL10918426 0.79 GRM6 (0.42) KMT2ARAB9ANPC1KDM4ETP53
SCHEMBL10928298 0.79 KDM4E (0.49) KMT2ARAB9ANPC1KDM4ETP53
SCHEMBL1969117 0.78 HPGDS (0.59) KMT2ARAB9ANPC1KDM4ETP53
SCHEMBL5065916 0.76 JAK2 (0.52) KMT2ARAB9ANPC1KDM4ELMNA
SCHEMBL9748942 0.76 KDM4E (0.43) KMT2ARAB9AKDM4ETP53HSD17B10
SCHEMBL25211948 0.74 ALDH1A1 (0.55) KMT2AKDM4EHSD17B10ADORA3MAPK1

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-0224842-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-05 EP disclosed