SCHEMBL8736485

SCHEMBL8736485

O=Cc1cc(F)c(F)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.39
TDP1 Q9NUW8 2/20 0.37
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL8727088 0.86 ERN1 (0.39) ERN1TDP1CES2CES1MEN1
SCHEMBL8735857 0.83 ERN1 (0.44) ERN1TDP1MEN1LMNATHRB
SCHEMBL8903022 0.81 ERN1 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL1811781 0.79 ERN1 (0.38) ERN1TDP1MEN1KMT2A
SCHEMBL1809938 0.77 ERN1 (0.36) ERN1TDP1MEN1KMT2A
SCHEMBL24133309 0.76 ERN1 (0.53) ERN1
SCHEMBL20088346 0.74 ERN1 (0.57) ERN1TDP1CES2CES1
SCHEMBL20798249 0.74 ERN1 (0.52) ERN1TDP1
SCHEMBL30402820 0.74 ERN1 (0.52) ERN1TDP1
SCHEMBL15514624 0.74 TDP1 (0.45) ERN1TDP1CES2CES1MEN1

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-0653412-B1 Process for preparing 4,5-difluorobenzaldehydes BAYER AG (DE) 1998-01-21 EP disclosed
US-5489715-A Process for preparing 4,5-difluorobenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0653412-A1 Process for preparing 4,5-difluorobenzaldehydes BAYER AG (DE) 1995-05-17 EP disclosed