SCHEMBL21391134

SCHEMBL21391134

CC(O)(CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
ESR2 Q92731 3/20 0.30
ESR1 P03372 1/20 0.30
CES1 P23141 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
MLYCD O95822 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
SCHEMBL21390955 0.93 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391136 0.91 CYP11B1 (0.34) RORC
SCHEMBL21391142 0.89 RORC (0.34) RORCPARP1
SCHEMBL21391143 0.89 MAT2A (0.32) MAPTMAPK1SMN1; SMN2
SCHEMBL21390903 0.87 RORC (0.32) RORC
SCHEMBL21390907 0.87 RORC (0.32) RORC
SCHEMBL21390916 0.86 RORC (0.32) RORC
SCHEMBL21390990 0.86 RORC (0.32) RORC
SCHEMBL21390918 0.85 RORC (0.34) RORCALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21390954 0.85 RORC (0.32) RORC

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