SCHEMBL24835694

SCHEMBL24835694

CC(CC(C)C)=NNC(=O)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 12/20 0.60
▸ HTT P42858 1/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PKM P14618 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ AGTR1 P30556 2/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL30777268 1.00 RAB9A (0.60) RAB9ASMN1; SMN2GAAHTTNPC1
SCHEMBL27212640 0.83 KDM4C (0.53) RAB9ASMN1; SMN2GAAHTTNPC1
SCHEMBL12720841 0.81 RAB9A (0.88) RAB9ASMN1; SMN2GAAHTTNPC1
SCHEMBL30873792 0.81 RAB9A (0.72) RAB9ASMN1; SMN2GAAHTTNPC1
SCHEMBL12720817 0.79 NPC1 (0.76) RAB9ASMN1; SMN2GAAHTTNPC1
SCHEMBL30179641 0.78 RAB9A (0.48) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL30179771 0.78 RAB9A (0.48) RAB9ASMN1; SMN2GAAHTTKMT2A
SCHEMBL24835095 0.78 RAB9A (0.48) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL27212643 0.78 GAA (0.47) RAB9ASMN1; SMN2GAAHTTKMT2A
SCHEMBL1562807 0.78 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1KMT2AKDM4E

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-2023277057-A1 RUBBER COMPOSITION AND TIRE 大塚化学株式会社 2023-01-05 — — WO disclosed
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