SCHEMBL7707591

SCHEMBL7707591

COc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.39
PGR P06401 3/20 0.39
NSD2 O96028 1/20 0.38
CHEK1 O14757 1/20 0.34
KDM1A O60341 3/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL7707608 0.81 VCAM1 (0.43) KDM1AALDH1A1HPGD
SCHEMBL8475975 0.77 F2RL3 (0.38) KDM4EALDH1A1
SCHEMBL7707584 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7781838 0.75 KCNH2 (0.38) KCNH2
SCHEMBL8888868 0.74 MAPT (0.36) KDM4EALDH1A1HPGDKCNH2
SCHEMBL7713559 0.74 SCN9A (0.36) KCNH2
SCHEMBL7707664 0.74 KCNH2 (0.35) KCNH2
SCHEMBL7162190 0.74 EGLN2 (0.33)
SCHEMBL7711790 0.74 KCNH2 (0.34) KCNH2
SCHEMBL8471696 0.73 KEAP1 (0.35) KDM4EALDH1A1HSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1116717-A1 Substituted 3-phenylpyrazoles as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-18 EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed