SCHEMBL21391143

SCHEMBL21391143

CC(O)(CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 6/20 0.32
TRPV1 Q8NER1 4/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL21391134 0.89 RORC (0.33) MAPTMAPK1SMN1; SMN2
SCHEMBL21391142 0.85 RORC (0.34) TRPV1PDE2APDE10ACYP11B1CYP11B2
SCHEMBL21390903 0.84 RORC (0.32) PDE2A
SCHEMBL21390907 0.84 RORC (0.32) PDE2A
SCHEMBL21391136 0.83 CYP11B1 (0.34) MAT2ATRPV1GAACYP11B1CYP11B2
SCHEMBL21390916 0.83 RORC (0.32)
SCHEMBL21390990 0.83 RORC (0.32) CYP11B1CYP11B2
SCHEMBL21390918 0.82 RORC (0.34) MAPTMAPK1SMN1; SMN2
SCHEMBL21391012 0.82 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL21390954 0.82 RORC (0.32) CYP11B1CYP11B2

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