SCHEMBL13350064

SCHEMBL13350064

Bc1ccc(Cl)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.45
▸ ALDH1A1 P00352 6/20 0.41
▸ ERN1 O75460 4/20 0.38
▸ VCAM1 P19320 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ POLB P06746 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ MAPT P10636 2/20 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
SCHEMBL13350165 0.82 TDP1 (0.61) TDP1ALDH1A1ERN1VCAM1MEN1
SCHEMBL42560 0.76 TDP1 (0.67) TDP1ALDH1A1ERN1VCAM1HSD17B10
SCHEMBL13893904 0.76 TDP1 (0.38) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL3787764 0.74 ALDH1A1 (0.67) TDP1ALDH1A1ERN1VCAM1POLB
SCHEMBL29818700 0.74 ALDH1A1 (0.67) TDP1ALDH1A1ERN1VCAM1POLB
SCHEMBL12668296 0.73 ALDH1A1 (0.48) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL7689361 0.73 ALDH1A1 (0.50) TDP1ALDH1A1ERN1VCAM1MEN1
SCHEMBL9639687 0.73 CYP3A4 (0.52) TDP1ALDH1A1ERN1VCAM1MEN1
SCHEMBL10087019 0.73 TDP1 (0.35) TDP1ERN1MEN1KMT2ALMNA
SCHEMBL1124809 0.73 HSD17B10 (0.52) TDP1ALDH1A1ERN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 — — WO disclosed
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