SCHEMBL21390774

SCHEMBL21390774

CC(C)(O)CC(=O)CCCc1nc2cc(C(F)(F)F)cnc2n1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
POLB P06746 2/20 0.35
USP2 O75604 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PIK3CA P42336 1/20 0.31
JAK1 P23458 2/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PPARD Q03181 2/20 0.30
PPARA Q07869 2/20 0.30
PKM P14618 1/20 0.30
SSTR4 P31391 1/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL21390755 0.90 RORC (0.40) RORCPOLBUSP2SMN1; SMN2TNKS
SCHEMBL21390920 0.83 RORC (0.33) RORCPIK3CA
SCHEMBL21391132 0.80 TBXA2R (0.40) RORCJAK1JAK2CDK4CCND1
SCHEMBL21391074 0.79 RORC (0.30) RORC
SCHEMBL19278043 0.78 RORC (0.39) RORCPOLBUSP2SMN1; SMN2
SCHEMBL21390908 0.78 KDM4E (0.30) JAK1JAK2TYK2JAK3
SCHEMBL21390754 0.76 NOS1 (0.33) POLB
SCHEMBL21391171 0.73 BRD4 (0.39) RORC
SCHEMBL16084292 0.73 CSNK1D (0.40) RORCPOLBUSP2SMN1; SMN2
SCHEMBL21391073 0.73 PDE10A (0.37) PIK3CA

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