SCHEMBL12258202

SCHEMBL12258202

[C-]#[N+]/C(=C\c1ccc(NC(C)=O)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPT P10636 8/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ AGTR1 P30556 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PPID Q08752 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ S1PR1 P21453 1/20 0.43

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
SCHEMBL13209959 0.81 MEN1 (0.66) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL13377975 0.78 MAPT (0.49) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL4807818 0.77 KDM4E (0.67) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL4807809 0.77 KDM4E (0.67) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL12270044 0.76 MAPT (0.45) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL18693174 0.75 MAPT (0.52) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL18693173 0.75 MAPT (0.52) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL6312321 0.72 CYP2C19 (0.57) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL6984318 0.71 CA12 (0.65) LMNAMEN1KMT2ACYP1A2TDP1
SCHEMBL6984316 0.71 CA12 (0.65) LMNAMEN1KMT2ACYP1A2TDP1

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-8021471-B2 Modified colorants with aliphatic poly-acid groups CABOT CORPORATION (US) 2011-09-20 — — US disclosed
US-20080083347-A1 Readily dispersible in liquid vehicles; stability; ink jet pigments; quality optical density on plain paper CABOT CORPORATION 2008-04-10 — — US disclosed
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