SCHEMBL8695232

SCHEMBL8695232

CCOC(=O)Nc1ccc2[nH]c(C)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
DGAT1 O75907 1/20 0.54
KCNQ2 O43526 1/20 0.53
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
MMP13 P45452 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL8695230 0.89 DGAT1 (0.66) ELANEDGAT1KCNQ2NPC1RAB9A
SCHEMBL4480173 0.84 DGAT1 (0.60) ELANEDGAT1KCNQ2NPC1RAB9A
SCHEMBL5189432 0.83 DGAT1 (0.59) ELANEDGAT1KCNQ2NPC1RAB9A
SCHEMBL4325535 0.83 HSP90AA1 (0.50) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL21104257 0.78 ELANE (0.54) ELANEDGAT1KCNQ2NPC1RAB9A
SCHEMBL8021163 0.78 ELANE (0.51) ELANEDGAT1KCNQ2NPC1RAB9A
SCHEMBL12790422 0.78 P2RY14 (0.58) NPC1RAB9ACYP3A4HTTALDH1A1
SCHEMBL8694113 0.76 ALDH1A1 (0.44) DGAT1KCNQ2NPC1RAB9ACYP1A2
SCHEMBL8694115 0.76 ALDH1A1 (0.44) DGAT1KCNQ2NPC1RAB9ACYP1A2
SCHEMBL6169066 0.76 HCRTR1 (0.56) NPC1RAB9AALDH1A1HPGDMMP13

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-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed