SCHEMBL5311189

SCHEMBL5311189

CCOCN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.36
CNR2 P34972 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
P2RX7 Q99572 1/20 0.35
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPIA P62937 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
SCHEMBL5316136 0.87 TAS1R3 (0.44) CYP3A4TP53P2RX7GAAMAPT
SCHEMBL7604538 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1TP53GPBAR1CNR2
SCHEMBL14494205 0.81 HDAC6 (0.44) CYP3A4ALDH1A1GPBAR1UTS2RHPGD
SCHEMBL9348751 0.81 NPC1 (0.43) CYP3A4ALDH1A1TP53GPBAR1CNR2
SCHEMBL9350175 0.78 TRPM8 (0.46) ALDH1A1CNR2MEN1KMT2ARAB9A
SCHEMBL9348811 0.78 TAS1R3 (0.40) CYP3A4ALDH1A1CNR2UTS2RHPGD
SCHEMBL7605909 0.76 GPBAR1 (0.46) CYP3A4ALDH1A1TDP1GPBAR1UTS2R
SCHEMBL7605876 0.76 TP53 (0.42) CYP3A4ALDH1A1TP53GPBAR1HPGD
SCHEMBL5313373 0.76 GAA (0.40) TP53GPBAR1MEN1POLBKMT2A
SCHEMBL9349033 0.76 LMNA (0.39) ALDH1A1TP53HPGDMEN1POLB

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-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed