SCHEMBL8773916

SCHEMBL8773916

CCc1n[nH]c(NC(=O)Cc2ccc(Oc3ccc(Cl)cc3)cc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 2/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CSNK1D P48730 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CNR2 P34972 1/20 0.40
RORC P51449 1/20 0.40
KLK7 P49862 1/20 0.40
LMNA P02545 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
SCHEMBL8329943 0.74 NOD2 (0.48) LTA4HEPHX2ALDH1A1L3MBTL1CSNK1D
SCHEMBL7621606 0.73 MAPK1 (0.45) LTA4HEPHX2ALDH1A1MAPK1L3MBTL1
SCHEMBL8773935 0.73 MMP2 (0.41) ALDH1A1L3MBTL1RAB9AMEN1KMT2A
SCHEMBL7623076 0.72 MAPK1 (0.43) LTA4HEPHX2MAPK1L3MBTL1CSNK1D
SCHEMBL7618791 0.70 MAPK1 (0.46) LTA4HEPHX2ALDH1A1MAPK1L3MBTL1
SCHEMBL8987834 0.70 KMT2A (0.51) LTA4HEPHX2ALDH1A1GSK3AL3MBTL1
SCHEMBL8987836 0.69 KMT2A (0.53) LTA4HEPHX2ALDH1A1GSK3AL3MBTL1
SCHEMBL6446114 0.66 KMT2A (0.56) LTA4HEPHX2ALDH1A1RAB9ANPC1
SCHEMBL1143274 0.66 RAB9A (0.46) NPY5RRAB9ANPC1SMN1; SMN2
SCHEMBL2367221 0.66 POLB (0.56) LTA4HEPHX2ALDH1A1L3MBTL1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802907-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AG (DE) 1997-10-29 EP disclosed
WO-1996021653-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed