SCHEMBL25759829

SCHEMBL25759829

CCSc1c(-c2bnc(CC)n2C)nc2ccccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
DPP4 P27487 1/20 0.33
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 3/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21782808 0.87 ALDH1A1 (0.36) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20100107 0.71 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL20100096 0.69 DPP4 (0.35) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22519128 0.69 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL18131814 0.64 PTGS1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL24242314 0.64 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL21698413 0.64 ALDH1A1 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21698367 0.63 PDE10A (0.32) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18131807 0.63 HSD17B10 (0.33) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18131817 0.62 MAPK1 (0.44) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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-3617207-B1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed