SCHEMBL21390946

SCHEMBL21390946

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
RORC P51449 1/20 0.30
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
SCHEMBL21390822 0.84 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390843 0.83 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390897 0.82 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390846 0.82 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390945 0.82 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390793 0.81 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390760 0.81 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21390847 0.81 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21391110 0.80 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CDK4CCND1
SCHEMBL21354608 0.80 EGFR (0.35) CYP19A1CYP11B1CYP11B2

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