SCHEMBL25995052

SCHEMBL25995052

CN1CCC(c2ccc(-n3ncc(NC[C@@H]4CCCOC4)c(Cl)c3=O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ KAT2B Q92831 6/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ BPTF Q12830 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL25996385 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996384 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996383 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25354605 0.92 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25353970 0.92 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25356467 0.92 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996531 0.91 CA12 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996529 0.91 CA12 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25995055 0.90 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25995059 0.90 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 — — WO disclosed
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