SCHEMBL30179771

SCHEMBL30179771

CC(CC(C)C)=NNC(=O)c1ncccc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CTSA P10619 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ATM Q13315 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
SCHEMBL30179641 0.87 RAB9A (0.48) RAB9AMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL24835095 0.87 RAB9A (0.48) RAB9AMAPTKDM4ESMN1; SMN2TDP1
SCHEMBL30777268 0.78 RAB9A (0.60) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL24835694 0.78 RAB9A (0.60) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31141986 0.75 KDM4E (0.67) RAB9AMAPTKDM4ETDP1ALDH1A1
SCHEMBL29158233 0.75 KDM4E (0.67) RAB9AMAPTKDM4ETDP1ALDH1A1
SCHEMBL24571662 0.74 CTSA (0.49) KDM4ESMN1; SMN2CTSAKMT2A
SCHEMBL2995777 0.73 KDM4E (0.56) RAB9AMAPTKDM4ETDP1LMNA
SCHEMBL2995779 0.73 KDM4E (0.56) RAB9AMAPTKDM4ETDP1LMNA
SCHEMBL1562807 0.73 SMN1; SMN2 (0.65) RAB9AMAPTKDM4ESMN1; SMN2TDP1

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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