SCHEMBL29158233

SCHEMBL29158233

CC(CC(C)C)=NNC(=O)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
KMT2A Q03164 3/20 0.67
THRB P10828 1/20 0.60
GAA P10253 3/20 0.58
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
GFER P55789 1/20 0.51
CACNA1B Q00975 2/20 0.51
APBA1 Q02410 2/20 0.51
PKM P14618 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AHR P35869 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL31141986 1.00 KDM4E (0.67) KDM4EKMT2ATHRBGAAALDH1A1
SCHEMBL2995779 0.83 KDM4E (0.56) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL2995777 0.83 KDM4E (0.56) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL6637074 0.83 SMN1; SMN2 (0.65) KDM4EKMT2AALDH1A1RAB9ANPC1
SCHEMBL1562807 0.83 SMN1; SMN2 (0.65) KDM4EKMT2AALDH1A1RAB9ANPC1
SCHEMBL1562806 0.83 SMN1; SMN2 (0.65) KDM4EKMT2AALDH1A1RAB9ANPC1
SCHEMBL6635616 0.81 RAB9A (0.55) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL22441541 0.81 RAB9A (0.55) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL30826094 0.77 MAPT (0.57) KDM4EKMT2AGAAALDH1A1RAB9A
SCHEMBL27177978 0.77 MAPT (0.57) KDM4EKMT2AGAAALDH1A1RAB9A

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
CN-117561303-A Rubber composition and tire 大塚化学株式会社 2024-02-13 CN disclosed