SCHEMBL21391066

SCHEMBL21391066

O=C(CCCCc1nc2cc(F)c(C3CC3)cc2n1C1CCC1)CC(O)(CF)CF

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.35
CYP11B2 P19099 9/20 0.33
CYP11B1 P15538 6/20 0.31
CYP19A1 P11511 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
SCHEMBL21391035 0.88 HDAC1 (0.35) HDAC1
SCHEMBL21391063 0.85 HDAC1 (0.36) HDAC1CYP11B2CYP11B1CYP19A1
SCHEMBL21391060 0.85 HDAC1 (0.36) HDAC1CYP11B2CYP11B1CYP19A1
SCHEMBL21391178 0.84 HDAC1 (0.30) HDAC1
SCHEMBL21391075 0.81
SCHEMBL21391067 0.79 KDM4E (0.32)
SCHEMBL18792000 0.78 CYP11B2 (0.35) CYP11B2CYP11B1
SCHEMBL21391006 0.75 CYP11B2 (0.36) CYP11B2CYP11B1
SCHEMBL23132031 0.75 CYP11B2 (0.41) HDAC1CYP11B2CYP11B1CYP19A1
SCHEMBL21391012 0.75 CYP11B1 (0.32) CYP11B2CYP11B1

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