SCHEMBL23905348

SCHEMBL23905348

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C#N)C(F)(F)F)cc2cc(Cl)cnc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.32
CFTR P13569 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL23905522 0.93 CFTR (0.33) GABRA5CFTR
SCHEMBL24988130 0.89 CFTR (0.32) GABRA5CFTRKDM4EALDH1A1HTT
SCHEMBL23905244 0.89 CFTR (0.32) GABRA5CFTRKDM4EALDH1A1HTT
SCHEMBL24987619 0.89 CFTR (0.32) GABRA5CFTRKDM4EALDH1A1HTT
SCHEMBL23905917 0.88 GABRA5 (0.31) GABRA5
SCHEMBL23905394 0.88 CFTR (0.32) CFTR
SCHEMBL26527318 0.88 CFTR (0.32) GABRA5CFTRKDM4EALDH1A1HTT
SCHEMBL23904806 0.87 IRAK4 (0.33) GABRA5CFTR
SCHEMBL24988033 0.86 GABRA5 (0.35) GABRA5CFTR
SCHEMBL23905710 0.84 POLB (0.34)

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