SCHEMBL5290490

SCHEMBL5290490

CCCCCCCCCCCCC(CCc1ccccc1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.50
▸ CYP19A1 P11511 10/20 0.49
▸ TBXA2R P21731 1/20 0.44
▸ CYP24A1 Q07973 1/20 0.44

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
SCHEMBL5305287 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5818767 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5292842 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5284327 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5300698 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5290716 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5302990 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5303423 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL22265205 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1
SCHEMBL5287866 1.00 CYP17A1 (0.50) CYP17A1CYP19A1TBXA2RCYP24A1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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