SCHEMBL9503462

SCHEMBL9503462

Nc1cc(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
G6PD P11413 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21733598 0.80 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL24118138 0.77 KDM4E (0.38) KIF11ALDH1A1KDM4EMEN1USP2
SCHEMBL9507060 0.77 CA1 (0.32)
SCHEMBL24854628 0.77 AR (0.30) ALDH1A1
SCHEMBL27264874 0.76 DAO (0.32)
SCHEMBL4634586 0.76 KIF11 (0.31) KIF11
SCHEMBL8151631 0.76 MAPT (0.33) KDM4EHSP90AA1MAPT
SCHEMBL30977450 0.76 RAB9A (0.32) HSD17B10L3MBTL1
SCHEMBL24854539 0.76
SCHEMBL9141412 0.74 KIF11 (0.31) KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315863-B1 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1993-11-18 EP claimed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US claimed
EP-0315863-A2 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1989-05-17 EP claimed
EP-0315863-B1 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1993-11-18 EP disclosed
EP-0318796-B1 SUBSTITUTED BENZOYL(THIO) UREAS BAYER AG (DE) 1993-06-16 EP disclosed
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
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-0318796-A2 Substituted benzoyl(thio) ureas BAYER AG (DE) 1989-06-07 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