SCHEMBL28657587

SCHEMBL28657587

C1=COCN=C1.c1cc(-c2c[nH]nn2)cs1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ AR P10275 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
SCHEMBL5612899 0.80 CYP2A6 (0.39) FYNPDGFRBCASP3SENP8SENP7
SCHEMBL249488 0.64 — —
SCHEMBL28321743 0.63 CYP2A6 (0.38) PDGFRB
SCHEMBL22638882 0.62 — —
Fluoride SCHEMBL28445156 0.62 — —
SCHEMBL13078874 0.60 METAP2 (0.32) —
Thiophene SCHEMBL28181534 0.59 AKT1 (0.38) FYN
SCHEMBL28653152 0.59 — —
SCHEMBL5612895 0.58 LMNA (0.43) AR
SCHEMBL1646236 0.58 GP6 (0.37) —

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-110423239-B 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof 昆明理工大学 2021-10-26 — — CN disclosed
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