SCHEMBL7938468

SCHEMBL7938468

O=C(Cl)c1ccc(Cl)c(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CLCN2 P51788 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL29544731 0.84 HPGD (0.55) ALDH1A1ALOX15HPGDUSP2TSHR
SCHEMBL9860903 0.84 HPGD (0.55) ALDH1A1ALOX15HPGDUSP2TSHR
SCHEMBL106507 0.83 HPGD (0.44) ALDH1A1ALOX15HPGDUSP2TSHR
SCHEMBL4847445 0.83 TSHR (0.52) ALDH1A1HPGDUSP2TSHRKMT2A
SCHEMBL1774412 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15HPGDUSP2TSHR
SCHEMBL27775492 0.81 KMT2A (0.50) ALDH1A1HPGDUSP2TSHRKMT2A
SCHEMBL967909 0.79 CYP3A4 (0.44) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL9712390 0.79 HPGD (0.42) ALDH1A1ALOX15HPGDUSP2CES2
SCHEMBL27853419 0.76 NOTUM (0.44) ALDH1A1ALOX15HPGDUSP2CES2
SCHEMBL27853410 0.76 CLCN2 (0.39) ALDH1A1ALOX15CES2TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922693-B1 Process for the preparation of 3-chloro-4-fluorobenzoyl chloride CLARIANT GMBH (DE) 2001-10-24 EP disclosed
US-6187952-B1 Two-step production of 3-chloro-4-fluoro-benzoyl chloride by chlorination CLARIANT GMBH (DE) 2001-02-13 US disclosed
EP-0922693-A1 Process for the preparation of 3-chloro-4-fluorobenzoyl chloride Clariant GmbH (DE) 1999-06-16 EP disclosed