SCHEMBL23958716

SCHEMBL23958716

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)cc(-c3ccc(F)cc3)n2)C(C)(F)F)cc(/C=C(/C)N)c1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
FOXM1 Q08050 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR3C1 P04150 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RIPK1 Q13546 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL23958982 0.89 CFTR (0.33) CFTRFOXM1SCN9APOLBKMT2A
SCHEMBL25687476 0.79 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL23958713 0.79 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL30007116 0.79 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL25687474 0.79 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL25687377 0.76 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL30006910 0.76 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL25687469 0.76 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL28909124 0.76 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53
SCHEMBL25687470 0.76 SCN9A (0.38) CFTRSCN9APOLBKMT2ATP53

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed