SCHEMBL23905718

SCHEMBL23905718

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3CF)C(F)(F)F)cc2cc(I)cnc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 3/20 0.31
MAPT P10636 1/20 0.30
ULK1 O75385 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
SCHEMBL25115993 0.93 GABRA5 (0.33) CFTRGABRA5MAPT
SCHEMBL25116014 0.86 GABRA5 (0.32) GABRA5MAPT
SCHEMBL25116477 0.85 CFTR (0.32) CFTRGABRA5MAPT
SCHEMBL23905406 0.85 GABRA5 (0.34) CFTRGABRA5MAPTULK1
SCHEMBL24988035 0.84 ALDH1A1 (0.32) CFTRGABRA5MAPT
SCHEMBL23905403 0.82 AR (0.35)
SCHEMBL24345438 0.81 POLB (0.38) CFTRGABRA5MAPT
SCHEMBL23905727 0.81 GABRA5 (0.30) GABRA5
SCHEMBL25117183 0.81 SSTR5 (0.31) GABRA5
SCHEMBL23905415 0.80 GABRA5 (0.32) CFTRGABRA5

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