SCHEMBL23905684

SCHEMBL23905684

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(Cl)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
GABRA5 P31644 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
RHOC P08134 1/20 0.30
RHOA P61586 1/20 0.30
SMPD1 P17405 1/20 0.30
CNR1 P21554 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23905687 0.94 CFTR (0.33) GABRA5MAPT
SCHEMBL23905664 0.93 MAPT (0.33) MAPTTP53
SCHEMBL23905686 0.91 PPARD (0.30)
SCHEMBL23905573 0.91 PPARD (0.30)
SCHEMBL23905668 0.88 CFTR (0.34) GABRA5
SCHEMBL23905347 0.87 CFTR (0.32) GABRA5
SCHEMBL23905256 0.87 CFTR (0.34) GABRA5
SCHEMBL23905595 0.87 CFTR (0.34) GABRA5
SCHEMBL23905865 0.86 GABRA5 (0.34) GABRA5
SCHEMBL23905593 0.86 CFTR (0.31) GABRA5MAPT

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