SCHEMBL21390822

SCHEMBL21390822

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
HDAC1 Q13547 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
SCHEMBL21390843 0.84 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390946 0.84 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390897 0.84 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21391110 0.84 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21391163 0.84 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390771 0.84 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21391103 0.83 HDAC1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390898 0.83 HDAC1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390945 0.82 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390923 0.81 CYP19A1 (0.34) 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