SCHEMBL9564390

SCHEMBL9564390

Clc1cc(-c2cc(NCC3CC3)no2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.40
ATM Q13315 1/20 0.38
MLLT1 Q03111 1/20 0.38
CCNK O75909 2/20 0.35
CDK9 P50750 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
CRHR1 P34998 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PRKCI P41743 1/20 0.32
GPR39 O43194 1/20 0.32
PIM1 P11309 3/20 0.31
PIK3CD O00329 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
VCP P55072 1/20 0.31
MEN1 O00255 1/20 0.31

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 0.78 HIF1A (0.49) KDM4EMAPK1HIF1AATMMLLT1
SCHEMBL9564368 0.76 HIF1A (0.44) KDM4EMAPK1HIF1AATMMLLT1
SCHEMBL9564402 0.71 VCP (0.49) KDM4EHIF1AATMMLLT1RAB9A
SCHEMBL9564361 0.69 RAB9A (0.49) HIF1ANPC1RAB9AVCPMEN1
SCHEMBL9564375 0.69 HIF1A (0.43) KDM4EMAPK1HIF1AATMMLLT1
SCHEMBL4945126 0.68 NOTUM (0.40) NPC1RAB9A
SCHEMBL1544246 0.66 NOTUM (0.62) KDM4EMAPK1RAB9AKMT2A
SCHEMBL13096156 0.65 HIF1A (0.50) KDM4EMAPK1HIF1AATMMLLT1
SCHEMBL9564425 0.65 KDM4E (0.44) KDM4EMAPK1HIF1AATMHRH4
SCHEMBL1544363 0.65 HSP90AA1 (0.37) KDM4EMEN1KMT2A

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