SCHEMBL30873792

SCHEMBL30873792

CC(C)=NNC(=O)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ GAA P10253 10/20 0.68
▸ NPC1 O15118 9/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ MAPT P10636 3/20 0.67
▸ PKM P14618 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ AGTR1 P30556 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ OPRK1 P41145 3/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PSMD14 O00487 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58

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
SCHEMBL12720841 0.90 RAB9A (0.88) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720817 0.88 NPC1 (0.76) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720857 0.87 RAB9A (0.78) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720802 0.84 AGTR1 (0.71) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720839 0.84 NPC1 (0.70) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL24835694 0.81 RAB9A (0.60) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL30777268 0.81 RAB9A (0.60) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL3188677 0.80 ALDH1A1 (0.62) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL4508472 0.79 CES2 (0.64) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720823 0.79 AGTR1 (0.88) RAB9ASMN1; SMN2GAANPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317978-A1 RUBBER COMPOSITION AND TIRE OTSUKA CHEMICAL CO., LTD. (JP) 2024-09-26 — — US disclosed
EP-4365229-A1 RUBBER COMPOSITION AND TIRE Otsuka Chemical Co., Ltd. (JP) 2024-05-08 — — EP disclosed
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