SCHEMBL7967445

SCHEMBL7967445

Cn1nc(-c2cc(F)c(C#N)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
EGLN2 Q96KS0 5/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 2/20 0.34
KHK P50053 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SLC34A1 Q06495 2/20 0.31
CYP11B1 P15538 1/20 0.31
KDM1A O60341 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL7164579 0.89 MEN1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8444573 0.87 AR (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8440236 0.82 GPBAR1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4625485 0.81 BCAT2 (0.44) SCN9A
SCHEMBL8566222 0.79 MEN1 (0.38) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7162190 0.78 EGLN2 (0.33) TRPV4EGLN2KHK
SCHEMBL8565103 0.77 MEN1 (0.37) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7524976 0.77 CYP1A2 (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8570221 0.77 MEN1 (0.37) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6289041 0.76 MEN1 (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172225-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
EP-0906270-B1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 2000-10-25 EP disclosed
EP-0906270-A1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0897383-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-02-24 EP disclosed
WO-1997045398-A1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
WO-1997040018-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed