SCHEMBL9747725

SCHEMBL9747725

Nc1ccc(C(F)(F)F)c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
POLB P06746 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MPL P40238 3/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL31295797 1.00 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL30574195 0.83 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL6834930 0.82 P2RX7 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL922455 0.79 KIF11 (0.41) KIF11POLBGLAGAATSHR
SCHEMBL3336349 0.77 NOTUM (0.39) PDE2AP2RX7EPAS1IDO1HTR3E
SCHEMBL8159986 0.77 EPAS1 (0.36) KIF11PDE2AP2RX7EPAS1KDM1A
SCHEMBL438369 0.77 KIF11 (0.39) KIF11POLBGLAGAATSHR
SCHEMBL30524328 0.77 EPAS1 (0.36) KIF11PDE2AP2RX7EPAS1KDM1A
SCHEMBL10696453 0.74 CSNK2A2 (0.44) KIF11TSHRPDE2AP2RX7HTR3E
SCHEMBL31561613 0.74 CSNK2A2 (0.44) KIF11TSHRPDE2AP2RX7HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US claimed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4963181-A Fungicidal 3-cyano-4-phenyl-pyrrole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed
US-4952601-A Fungicidal 3-cyano-4-phenyl-pyrrole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0339422-A1 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1989-11-02 EP disclosed
EP-0315869-A2 3-Cyano-4-(2,4-difluor-3-phenyl)-pyrrole BAYER AG (DE) 1989-05-17 EP disclosed
EP-0315863-A2 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1989-05-17 EP disclosed