SCHEMBL21390771

SCHEMBL21390771

CC(C)(O)c1cc(F)c2nc(CCCC(=O)C3(CC(F)F)CC3)n(C3CCC3)c2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL21390822 0.84 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390897 0.82 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390760 0.81 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390793 0.81 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21354590 0.80 ALK (0.34) CYP19A1CYP11B1CYP11B2
SCHEMBL21390945 0.80 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390923 0.79 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390946 0.79 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390846 0.78 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390847 0.78 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed