SCHEMBL23905300

SCHEMBL23905300

Cc1cc2cc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(=O)NC3CC3)C(F)F)cc(OC3CC3)c2nn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31
GABRA5 P31644 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
SCHEMBL23905331 0.93
SCHEMBL23905344 0.91 PTGS1 (0.31) GABRA5
SCHEMBL23905685 0.88
SCHEMBL23905276 0.86
SCHEMBL23905288 0.86
SCHEMBL23905772 0.84 GABRA5 (0.30) GABRA5
SCHEMBL23905588 0.84 CFTR (0.31) GABRA5
SCHEMBL23904758 0.83 PIK3CA (0.32)
SCHEMBL23905733 0.83 PIK3CA (0.32)
SCHEMBL23905825 0.81 CFTR (0.31) GABRA5

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed