SCHEMBL17898239

SCHEMBL17898239

N#Cc1ccc([C@@H]2CCc3cncn32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 1.00
CYP11B2 P19099 11/20 0.84
CYP11B1 P15538 5/20 0.84
KCNH2 Q12809 2/20 0.84
CYP17A1 P05093 1/20 0.64
HRH1 P35367 1/20 0.64

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
SCHEMBL2348591 1.00 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
Hydrochloric Acid SCHEMBL9836543 0.99 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
Dexfadrostat SCHEMBL685516 0.92 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.92 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL3295820 0.92 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL25491 0.92 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL4143 0.90 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Dexfadrostat SCHEMBL4619633 0.90 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2351202 0.90 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL9739941 0.90 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160196412-A1 DESIGN OF MOLECULES RECURSION PHARMACEUTICALS, INC. 2016-07-07 US disclosed