SCHEMBL8021163

SCHEMBL8021163

CCOC(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
DGAT1 O75907 1/20 0.48
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
KCNQ2 O43526 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 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
SCHEMBL1247686 0.80 ROCK2 (0.55) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL2704274 0.80 ALDH1A1 (0.50) NPC1RAB9AHTTALDH1A1HPGD
SCHEMBL20340673 0.79 HPGD (0.50) DGAT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL9172845 0.79 ROCK2 (0.54) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL21104257 0.78 ELANE (0.54) ELANEDGAT1NPC1RAB9ACYP1A2
SCHEMBL8695232 0.78 ELANE (0.54) ELANEDGAT1NPC1RAB9ACYP1A2
SCHEMBL1010470 0.77 BRD4 (0.54) CYP1A2HTTALDH1A1POLBHSD17B10
SCHEMBL1156215 0.77 PEPD (0.42) NPC1CYP3A4ALDH1A1HSD17B10LMNA
SCHEMBL11067406 0.76 SMN1; SMN2 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL4447236 0.76 EGFR (0.46) NPC1RAB9AHTTALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185243-B2 Photosensitive silver halide material for obtaining half-tone black-and-white images and method for half-tone high-contrast reproduction MINNESOTA MINING & MFG (US) 2000-01-12 EP disclosed
US-4659647-A BLEND WITH HYDROPHOBIC POLYMER AND STABILIZER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-04-21 US disclosed
EP-0185243-A2 Photosensitive silver halide material for obtaining half-tone black-and-white images and method for half-tone high-contrast reproduction MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-06-25 EP disclosed