SCHEMBL5301494

SCHEMBL5301494

CCC(CCc1ccccc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.55
▸ CYP17A1 P05093 4/20 0.50
▸ CYP24A1 Q07973 1/20 0.48
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 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
SCHEMBL5295918 0.90 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1
SCHEMBL5299812 0.87 CYP17A1 (0.55) CYP19A1CYP17A1CYP24A1
SCHEMBL5811769 0.86 CYP17A1 (0.51) CYP19A1CYP17A1CYP24A1
SCHEMBL5290716 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5818767 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5300698 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5302990 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5290490 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL22265205 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5284327 0.85 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1

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
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 — — WO disclosed
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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