SCHEMBL10700313

SCHEMBL10700313

O=C=Nc1cc(Cl)c(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
STK39 Q9UEW8 1/20 0.40
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
RHEB Q15382 4/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL11783527 0.81 MAPK1 (0.44) TDP1MAPK1MAPTKMT2AMEN1
SCHEMBL9359042 0.81 CYP3A4 (0.43) TDP1MAPK1MAPTKMT2AMEN1
SCHEMBL11232599 0.79 PDE7A (0.44) TDP1MAPK1MAPTKMT2AMEN1
SCHEMBL10600257 0.79 MAPK1 (0.43) TDP1MAPK1
SCHEMBL11720359 0.76 AR (0.47) TDP1MAPK1PGR
SCHEMBL11603241 0.75 CYP3A4 (0.42) TDP1MAPTKMT2AMEN1POLB
SCHEMBL242048 0.74 LTA4H (0.50) LTA4HTSHRCA1CA2CYP3A4
SCHEMBL62179 0.74 AKR1C3 (0.46) TDP1MAPK1MAPTKMT2AMEN1
SCHEMBL10449741 0.73 TDP1 (0.52) TDP1MAPK1KMT2AMEN1TSHR
SCHEMBL10906029 0.72 CYP3A4 (0.45) TDP1MAPK1KMT2ALTA4HTSHR

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
EP-0280921-A2 [N-benzoyle-N'-(3,5-dichloro-4-phenoxy)-phenyl] ureas BASF Aktiengesellschaft (DE) 1988-09-07 EP disclosed