SCHEMBL25356305

SCHEMBL25356305

O=c1c(Cl)c(NC[C@@H]2CCCOC2)cnn1-c1ccc(C2CCNCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ TNK2 Q07912 2/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ CYP2C9 P11712 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL25996383 0.94 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996384 0.94 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996385 0.94 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25353970 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25356467 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25354605 0.93 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996531 0.92 CA12 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25996529 0.92 CA12 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25995059 0.89 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25995052 0.89 CA12 (0.43) 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 2 patents. 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
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 — — WO disclosed
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