SCHEMBL7755885

SCHEMBL7755885

Cc1nn(C)c(-c2ccccc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL23401189 0.85 LMNA (0.40) MAPTNPC1RAB9ACYP2C19CYP1A2
SCHEMBL11674731 0.82 MEN1 (0.50) MAPTCDK8CYP2C19CA1CA2
SCHEMBL23403431 0.82 TGFBR1 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL23399343 0.80 POLB (0.41) MAPTNPC1RAB9ANR1H2NR1H3
SCHEMBL14996573 0.80 MAPT (0.52) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL23400798 0.79 CNR1 (0.47) MAPTNR1H3CYP2C19CYP1A2CYP2C9
SCHEMBL23401342 0.79 TDP1 (0.51) MAPTNPC1RAB9ANR1H2NR1H3
SCHEMBL23400590 0.79 TDP1 (0.51) MAPTNPC1RAB9ANR1H2NR1H3
SCHEMBL23402208 0.78 HTR2A (0.48) MAPTNPC1RAB9ANR1H2NR1H3
SCHEMBL23399277 0.78 SMN1; SMN2 (0.54) MAPTNPC1RAB9ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808308-B1 METHOD FOR SEPARATING CARBINOLS ESTEVE LABOR DR (ES) 2001-03-07 EP claimed
EP-0808308-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP claimed
WO-1997020817-A1 METHOD FOR SEPARATING CARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-12 WO claimed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed