SCHEMBL11280368

SCHEMBL11280368

COc1ccc(N2C(=O)/C(=C/N(C)C)N(C)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MGLL Q99685 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ELANE P08246 1/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37

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
SCHEMBL11280370 1.00 GAA (0.53) GAARAB9ANPC1SMN1; SMN2MGLL
SCHEMBL11274061 0.84 ELANE (0.47) GAARAB9ANPC1SMN1; SMN2MGLL
SCHEMBL11274058 0.84 ELANE (0.47) GAARAB9ANPC1SMN1; SMN2MGLL
SCHEMBL11277401 0.82 MEN1 (0.51) GAARAB9ANPC1MGLLKMT2A
SCHEMBL11277409 0.82 MEN1 (0.51) GAARAB9ANPC1MGLLKMT2A
SCHEMBL11277679 0.82 ALDH1A1 (0.49) GAARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11277684 0.82 ALDH1A1 (0.49) GAARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11282746 0.76 BCL2A1 (0.52) GAARAB9ANPC1KMT2AMEN1
SCHEMBL11282400 0.76 MAP1LC3B (0.36) GAARAB9ANPC1SMN1; SMN2MGLL
SCHEMBL11282397 0.76 MAP1LC3B (0.36) GAARAB9ANPC1SMN1; SMN2MGLL

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-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
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