SCHEMBL28803260

SCHEMBL28803260

C[C@@H](O)[C@H](OC(N)=O)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.47
▸ P2RX7 Q99572 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CD38 P28907 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL28803261 1.00 CFD (0.47) CFDP2RX7ALDH1A1CD38NPC1
SCHEMBL29781892 0.88 CFD (0.43) CFDP2RX7ALDH1A1CD38TSHR
SCHEMBL28803239 0.88 CFD (0.43) CFDP2RX7ALDH1A1CD38TSHR
SCHEMBL28803203 0.83 CFD (0.46) CFDP2RX7ALDH1A1CD38NPC1
SCHEMBL28803205 0.83 CFD (0.46) CFDP2RX7ALDH1A1CD38NPC1
SCHEMBL30146937 0.82 CFD (0.43) CFDP2RX7ALDH1A1CD38KMT2A
SCHEMBL19236690 0.82 CFD (0.51) CFDP2RX7ALDH1A1CD38KMT2A
SCHEMBL19208037 0.82 CFD (0.51) CFDP2RX7ALDH1A1CD38KMT2A
SCHEMBL28803246 0.82 CFD (0.51) CFDP2RX7ALDH1A1CD38KMT2A
SCHEMBL28803298 0.81 CFD (0.48) CFDP2RX7ALDH1A1CD38NPC1

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
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
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