SCHEMBL10965342

SCHEMBL10965342

O=C(Nc1cc(C(F)(F)F)cs1)Nc1cc(C(F)(F)F)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.48
EPHX2 P34913 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
BAZ1A Q9NRL2 1/20 0.38
MTOR P42345 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CNR1 P21554 1/20 0.38
RAF1 P04049 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL28600366 0.79 RXFP1 (0.43) MAPTGPR35CA1CA2
SCHEMBL7375370 0.77 CLK4 (0.50) KDR
SCHEMBL22103786 0.75 EPHX2 (0.61) MAPTTP53GAAEPHX2MEN1
SCHEMBL11551983 0.70 CYP3A4 (0.36) MAPTTP53GAARAB9AGPR35
SCHEMBL10465570 0.69 LMNA (0.32) GAAMEN1KMT2AHTT
SCHEMBL25552244 0.68 DAO (0.50) MEN1KMT2AGPR35ALDH1A1CES2
SCHEMBL2681462 0.67 MAPT (0.78) MAPTEPHX2MEN1KMT2ARAB9A
SCHEMBL10465569 0.67 HPGD (0.33) MEN1KMT2AHTT
SCHEMBL18691870 0.67 MAPT (0.50) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL27397192 0.64 RXRA (0.44) ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058424-B1 PYRAZOLINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-09-18 EP disclosed
US-4464386-A Insecticidal 3-difluoromethoxyphenyl-1-phenylcarbamoyl-2-pyrazolines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-07 US disclosed
EP-0058424-A2 Pyrazoline derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-08-25 EP disclosed