SCHEMBL25996348

SCHEMBL25996348

CC(C)c1ccc(-n2ncc(NC[C@H]3CCCOC3)c(Cl)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ NPBWR1 P48145 9/20 0.42
▸ MCHR1 Q99705 9/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL25996349 1.00 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996347 1.00 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996308 0.90 RAB9A (0.55) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996309 0.90 RAB9A (0.55) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996310 0.90 RAB9A (0.55) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25355754 0.90 RAB9A (0.44) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996527 0.90 RAB9A (0.44) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25994824 0.89 NPBWR1 (0.45) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25359920 0.88 CA12 (0.43) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL25996525 0.88 CA12 (0.43) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1

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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