SCHEMBL21390810

SCHEMBL21390810

Cc1c(C(C)(C)O)c(F)cc2nc(CCCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RORC P51449 1/20 0.30
JAK1 P23458 2/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
HDAC1 Q13547 2/20 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
SCHEMBL21391079 0.97 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2RORCJAK1
SCHEMBL21390808 0.83 JAK2 (0.33) RORCJAK1JAK2TYK2JAK3
SCHEMBL21390929 0.82 RORC (0.30) RORC
SCHEMBL21391078 0.79 KDM4E (0.33) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL21390893 0.79 RORC (0.31) RORC
SCHEMBL21390815 0.78 HDAC1 (0.33) RORCJAK1HDAC1
SCHEMBL23132031 0.77 CYP11B2 (0.41) CYP19A1CYP11B1CYP11B2HDAC1
SCHEMBL21390819 0.76 CNR2 (0.32) RORCJAK1HDAC1
SCHEMBL21390880 0.75 HDAC1 (0.37) RORCHDAC1
SCHEMBL21391086 0.74 AR (0.33) JAK1JAK2TYK2JAK3HDAC1

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