SCHEMBL9564425

SCHEMBL9564425

Cc1cc(C)c(-c2cc(NCC3CC3)no2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.42
CHRM4 P08173 2/20 0.40
VCP P55072 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
BRD4 O60885 3/20 0.36
CRHR1 P34998 1/20 0.35
STAT3 P40763 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HIF1A Q16665 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL9422419 0.68 HIF1A (0.49) KDM4EATMMAPK1VCPRECQL
SCHEMBL8542219 0.67 CRHR1 (0.51) KDM4EATMMAPK1CHRM4VCP
SCHEMBL9564361 0.67 RAB9A (0.49) VCPMEN1KMT2AHIF1A
SCHEMBL9564368 0.66 HIF1A (0.44) KDM4EATMMAPK1VCPHRH4
SCHEMBL9564390 0.65 KDM4E (0.41) KDM4EATMMAPK1VCPMEN1
SCHEMBL9564375 0.62 HIF1A (0.43) KDM4EATMMAPK1CRHR1HIF1A
SCHEMBL17700718 0.61 CRHR1 (0.51) KDM4EMAPK1MEN1KMT2ACRHR1
SCHEMBL9653485 0.61 MEN1 (0.55) KDM4ECHRM4MEN1KMT2ACRHR1
SCHEMBL13096156 0.61 HIF1A (0.50) KDM4EATMMAPK1KMT2ABRD4
SCHEMBL9564359 0.61 HCN1 (0.39) KDM4EATMMAPK1CRHR1

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-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed