SCHEMBL9722688

SCHEMBL9722688

O=C(Cl)COc1cc(Cl)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
POLB P06746 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL64347 0.85 TDP1 (0.74) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL2538911 0.85 TDP1 (0.74) TDP1MEN1KMT2APOLBMRGPRX4
SCHEMBL11330576 0.82 ALDH1A1 (0.53) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL9663614 0.81 TDP1 (0.50) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL11812771 0.80 MEN1 (0.52) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL1195318 0.79 CYP1A2 (0.64) TDP1MEN1KMT2APOLBTP53
SCHEMBL3165661 0.79 LMNA (0.65) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL11221531 0.78 ALDH1A1 (0.58) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL16738600 0.77 MEN1 (0.50) TDP1MEN1KMT2ACRHBPCRHR2
SCHEMBL3254718 0.77 MEN1 (0.58) TDP1MEN1KMT2APOLBTP53

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
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed