SCHEMBL11796956

SCHEMBL11796956

C=CCONC(CC)=C1C(=O)NC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 6/20 0.41
▸ ITGB7 P26010 6/20 0.41
▸ MAPT P10636 10/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ PLIN1 O60240 1/20 0.35
▸ PABPC1 P11940 1/20 0.35

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
SCHEMBL11796951 1.00 ITGA4 (0.41) ITGA4ITGB7MAPTALDH1A1HPGD
SCHEMBL11798986 0.87 ITGA4 (0.43) ITGA4ITGB7MAPTALDH1A1HPGD
SCHEMBL11798981 0.87 ITGA4 (0.43) ITGA4ITGB7MAPTALDH1A1HPGD
SCHEMBL11797116 0.80 ALDH1A1 (0.35) MAPTALDH1A1KMT2AKDM4ERECQL
SCHEMBL11797119 0.80 ALDH1A1 (0.35) MAPTALDH1A1KMT2AKDM4ERECQL
SCHEMBL11214062 0.75 ALDH1A1 (0.38) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11800891 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL11800884 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL18481365 0.69 ITGA4 (0.51) ITGA4ITGB7MAPTALDH1A1HPGD
SCHEMBL11797725 0.69 ALDH1A1 (0.35) MAPTALDH1A1POLB

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-3999974-A HERBICIDES NIPPON SODA COMPANY LIMITED (JA) 1976-12-28 — — US disclosed
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