SCHEMBL23196124

SCHEMBL23196124

Cc1ccc(-c2ccc(C(=O)NC[C@H](c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)C(F)(F)F)cc2OC2CC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.33
GABRA5 P31644 4/20 0.32
KLKB1 P03952 1/20 0.32
SLC5A7 Q9GZV3 3/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
TYRO3 Q06418 2/20 0.30
NLRP3 Q96P20 1/20 0.30
AXL P30530 1/20 0.30
BCL9 O00512 1/20 0.30
CTNNB1 P35222 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
SCHEMBL23196125 0.91 SLC5A7 (0.32) NAMPTSLC5A7ARALDH1A1SMN1; SMN2
SCHEMBL23195595 0.91 GABRA5 (0.31) GABRA5SLC5A7AR
SCHEMBL23196126 0.90 ROCK2 (0.34) KLKB1SLC5A7ARALDH1A1SMN1; SMN2
SCHEMBL23196136 0.90 UGCG (0.31) SLC5A7
SCHEMBL23196269 0.90 UGCG (0.31) SLC5A7
SCHEMBL23195997 0.89 AR (0.31) SLC5A7AR
SCHEMBL23196108 0.88 KLKB1 (0.36) KLKB1SLC5A7
SCHEMBL23195904 0.87 SLC5A7 (0.31) SLC5A7
SCHEMBL23195848 0.86 PTK2 (0.33) GABRA5SLC5A7ALDH1A1SMN1; SMN2BCL9
SCHEMBL26568540 0.86 SLC5A7 (0.33) NAMPTSLC5A7

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-2021066922-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed