SCHEMBL4725235

SCHEMBL4725235

CC1CCn2c(cnc2-c2ccc(C#N)c(F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.42
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
PDE4A P27815 2/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
EGLN2 Q96KS0 3/20 0.40

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
SCHEMBL4726605 0.80 PRKCQ (0.36)
SCHEMBL4580999 0.65 CYP11B1 (0.46) KDM1ACYP11B1CYP11B2PDE4APDE4C
SCHEMBL18297999 0.63 CYP11B2 (0.67) CYP11B1CYP11B2
SCHEMBL4580915 0.62 EGLN2 (0.48) KDM1ACYP11B1CYP11B2EGLN2
SCHEMBL9151348 0.62 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL9612021 0.61 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL24137660 0.61 KDM1A (0.64) KDM1ACYP11B1CYP11B2
SCHEMBL14072361 0.61 CYP11B1 (0.57) CYP11B1CYP11B2EGLN2
SCHEMBL12012339 0.61 CYP11B1 (0.66) CYP11B1CYP11B2
SCHEMBL9445543 0.61 CYP11B1 (0.42) KDM1ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed