SCHEMBL25994824

SCHEMBL25994824

CC(C)Oc1ccc(-n2ncc(NC[C@@H]3CCCOC3)c(Cl)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 7/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL25996473 0.90 RAB9A (0.49) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996477 0.90 RAB9A (0.49) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996471 0.90 RAB9A (0.49) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996348 0.89 SMN1; SMN2 (0.44) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996349 0.89 SMN1; SMN2 (0.44) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996347 0.89 SMN1; SMN2 (0.44) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25994826 0.88 SMN1; SMN2 (0.41) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25995292 0.87 CA12 (0.41) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25996309 0.87 RAB9A (0.55) NPBWR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25355754 0.87 RAB9A (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2

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
Send feedback