SCHEMBL11290388

SCHEMBL11290388

CC(C)(C)C1C/C(=C/c2ccc(N)cc2)C(=O)/C(=C/c2ccc(N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HSP90AA1 P07900 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAOB P27338 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41

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
SCHEMBL11290392 1.00 MEN1 (0.54) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8283668 0.84 CYP2C9 (0.59) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11816976 0.83 MAPT (0.61) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11816970 0.83 MAPT (0.61) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8346191 0.83 CYP1A2 (0.62) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8999995 0.83 CYP1A2 (0.62) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL21028263 0.81 MAPT (0.65) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL10977632 0.81 MAPT (0.65) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL10977635 0.81 MAPT (0.65) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11286596 0.81 MAPT (0.42) MEN1KMT2ANPC1MAPTALDH1A1

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
US-4354976-A Process for the preparation of azidobenzal compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-10-19 — — US disclosed
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