SCHEMBL8728790

SCHEMBL8728790

O=Cc1cc(Cl)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ERN1 O75460 6/20 0.39
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL8722549 0.84 TDP1 (0.40) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL1814109 0.82 TDP1 (0.39) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL17512175 0.79 ERN1 (0.57) TDP1ERN1ALDH1A1PTPN1
SCHEMBL30711844 0.79 ERN1 (0.57) TDP1ERN1ALDH1A1PTPN1
SCHEMBL12526044 0.79 ERN1 (0.47) TDP1ERN1ALDH1A1LMNA
SCHEMBL295466 0.77 ERN1 (0.43) TDP1ERN1MEN1KMT2ALMNA
SCHEMBL17842843 0.76 TDP1 (0.46) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL8277341 0.76 ERN1 (0.48) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL16722745 0.76 ERN1 (0.44) TDP1ERN1MEN1KMT2APTPN1
SCHEMBL28080121 0.76 ERN1 (0.39) TDP1ERN1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP claimed
US-5777181-A 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5565614-A FLUORINATION BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
US-5530158-A CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5362909-A Two stage fluorination BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
US-5200548-A Intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
US-5072038-A Chemical intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
CN-1013370-B Process for preparing derivatives of 2, 4, 5-trihalobenzenes and 2, 3, 4, 5-tetrahalobenzenes BAYER AG (DE) 1991-07-31 CN disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
CN-85101737-A Preparation 2,4,5-trihalogenated benzene and 2,3,4, the derivative method of 5-tetrahalogeno-benzene 1987-01-31 CN disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed