SCHEMBL7696643

SCHEMBL7696643

O=Cc1cncn1Cc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.66
CYP11B2 P19099 9/20 0.66
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
CYP19A1 P11511 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1757759 0.86 CYP11B1 (0.66) CYP11B1CYP11B2IDO1ALDH1A1PKM
SCHEMBL1758083 0.85 CYP11B1 (0.68) CYP11B1CYP11B2IDO1ALDH1A1PKM
SCHEMBL7696780 0.83 CYP11B1 (0.67) CYP11B1CYP11B2IDO1ALDH1A1CYP19A1
SCHEMBL7700254 0.83 CYP11B1 (0.67) CYP11B1CYP11B2IDO1ALDH1A1PKM
SCHEMBL8140959 0.83 CYP11B1 (0.67) CYP11B1CYP11B2IDO1ALDH1A1CYP19A1
SCHEMBL765399 0.83 CYP11B1 (0.67) CYP11B1CYP11B2IDO1ALDH1A1PKM
SCHEMBL7986619 0.83 CYP11B1 (0.67) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL8134371 0.83 CYP11B1 (0.62) CYP11B1CYP11B2IDO1ALDH1A1KDM4E
SCHEMBL8135755 0.82 CYP11B1 (0.65) CYP11B1CYP11B2IDO1ALDH1A1KDM4C
SCHEMBL5935193 0.81 CYP11B1 (0.63) CYP11B1CYP11B2IDO1CYP19A1

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
WO-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed
WO-2002057257-A1 CYCLO`C!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREFOR LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed
EP-1054882-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2000-11-29 EP disclosed
WO-1999041248-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 1999-08-19 WO disclosed