SCHEMBL9264409

SCHEMBL9264409

Cc1cc(OC(F)F)nn1-c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
F2RL3 Q96RI0 1/20 0.38
CNR1 P21554 3/20 0.36
RIPK1 Q13546 1/20 0.36
KCNN3 Q9UGI6 1/20 0.35
CNR2 P34972 2/20 0.35
MAPK14 Q16539 2/20 0.34
MAPK11 Q15759 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
SCHEMBL8892705 0.77 CNR2 (0.34) F2RL3CNR1KCNN3CNR2
SCHEMBL14996676 0.70 SIGMAR1 (0.57) SIGMAR1CNR1CNR2
SCHEMBL29311638 0.69 F2RL3 (0.33) F2RL3
SCHEMBL10742086 0.69 KCNN3 (0.43) CNR1KCNN3MAPK14MAPK11
SCHEMBL25320904 0.68 F2RL3 (0.32) F2RL3
SCHEMBL30986493 0.68 F2RL3 (0.34) F2RL3
SCHEMBL3386827 0.68 POLB (0.46) SIGMAR1RIPK1
SCHEMBL6658377 0.68 PPOX (0.51)
SCHEMBL29576004 0.68 PPOX (0.51)
SCHEMBL31509440 0.67 KDM4E (0.42)

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
WO-1995019967-A1 A PROCESS FOR THE PREPARATION OF 3-(SUBSTITUTED PHENYL) PYRAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-27 WO disclosed