SCHEMBL13345684

SCHEMBL13345684

COc1cccc(OC)c1CNC(=O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HIF1A Q16665 1/20 0.51
PTPN1 P18031 1/20 0.51
GAA P10253 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 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
SCHEMBL8122573 0.85 POLB (0.63) NPC1RAB9AGAAKMT2APOLB
SCHEMBL28872280 0.79 HIF1A (0.54) NPC1RAB9AHIF1APTPN1GAA
SCHEMBL5723907 0.77 MTNR1A (0.56) HIF1APTPN1ALDH1A1
SCHEMBL3275628 0.77 NPC1 (0.72) NPC1RAB9AGAATAAR1HPGD
SCHEMBL5726195 0.77 MTNR1A (0.67) HSD17B10NPC1RAB9AGAATAAR1
SCHEMBL20766321 0.75 ALDH1A1 (0.56) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL27102271 0.75 HPGD (0.43) NPC1RAB9AGAATAAR1KMT2A
SCHEMBL5108159 0.75 NPC1 (0.69) HSD17B10NPC1RAB9AGAATAAR1
SCHEMBL717950 0.75 HPGD (0.63) HSD17B10NPC1RAB9APTPN1GAA
SCHEMBL28872227 0.74 HIF1A (0.49) HSD17B10HIF1APTPN1TAAR1HPGD

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-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed