SCHEMBL11418316

SCHEMBL11418316

CCN(CC)c1cccc(NC(=O)COC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ PKM P14618 3/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPT P10636 7/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ NOX1 Q9Y5S8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CDK8 P49336 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL8742796 0.86 SMN1; SMN2 (0.60) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL11421963 0.85 KMT2A (0.66) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL30400187 0.83 RAB9A (0.61) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL9408526 0.83 RAB9A (0.61) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL11877274 0.82 POLB (0.51) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL11331419 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL11420893 0.81 ALDH1A1 (0.52) PKMALDH1A1MAPTKMT2AMEN1
SCHEMBL3459826 0.81 MAPT (0.51) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL697935 0.81 ALDH1A1 (0.58) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL29594409 0.81 ALDH1A1 (0.58) SMN1; SMN2PKMALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 — — US disclosed
US-4048154-A POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 — — US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
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