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SCHEMBL23958982

SCHEMBL23958982

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)cc(-c3ccc(F)cc3)n2)C2CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ FOXM1 Q08050 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23958716 0.89 CFTR (0.36) CFTRSCN9AMAPTKMT2APOLB
SCHEMBL25687466 0.81 SCN9A (0.36) CFTRSCN9AHPGDS
SCHEMBL30007220 0.81 SCN9A (0.36) CFTRSCN9AHPGDS
SCHEMBL28909130 0.81 SCN9A (0.36) CFTRSCN9AHPGDS
SCHEMBL25687467 0.81 SCN9A (0.36) CFTRSCN9AHPGDS
SCHEMBL23958834 0.80 CFTR (0.35) CFTR
SCHEMBL23930091 0.77 VCP (0.40) CFTRSCN9AMAPTHPGDSALDH1A1
SCHEMBL19945027 0.77 ALDH1A1 (0.42) MAPTALDH1A1
SCHEMBL23958759 0.76 ACACB (0.39) SCN9AMAPTHPGDS
SCHEMBL30211239 0.76 ACACB (0.39) SCN9AMAPTHPGDS

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