SCHEMBL8078489

SCHEMBL8078489

COc1ccc(Cn2nccc2NCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.47
PCSK9 Q8NBP7 1/20 0.44
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BTK Q06187 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
UCHL1 P09936 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL12166153 0.82 NPBWR1 (0.48) NPBWR1MCHR1BTKUCHL1CYP11B1
SCHEMBL8076193 0.81 NPBWR1 (0.49) NPBWR1MCHR1ALDH1A1KDM4EBTK
SCHEMBL13167916 0.81 NPBWR1 (0.49) NPBWR1MCHR1ALDH1A1KDM4EBTK
Hydrochloric Acid SCHEMBL31463493 0.79 NPBWR1 (0.47) NPBWR1MCHR1ALDH1A1KDM4EBTK
Hydrochloric Acid SCHEMBL28635367 0.79 NPBWR1 (0.47) NPBWR1MCHR1ALDH1A1KDM4EBTK
SCHEMBL2048063 0.76 NPBWR1 (0.49) NPBWR1MCHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1801034 0.75 NPBWR1 (0.44) NPBWR1PCSK9MCHR1ALDH1A1SMN1; SMN2
SCHEMBL1491135 0.75 NPBWR1 (0.44) NPBWR1MCHR1ALDH1A1BTKUCHL1
SCHEMBL20745582 0.75 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27884414 0.75 NPBWR1 (0.54) NPBWR1MCHR1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP disclosed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO disclosed