SCHEMBL9839736

SCHEMBL9839736

CCOC(=O)C(C#N)C(C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMD14 O00487 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38

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
SCHEMBL9838466 0.89 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL9838406 0.87 ESRRG (0.37) ALDH1A1MEN1KMT2APSMD14MAPT
SCHEMBL10426771 0.85 EGFR (0.39) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9750108 0.77 MAOB (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL9840374 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL9750046 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL9838206 0.69 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL4660133 0.69 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL4696363 0.69 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APSMD14PDE4A
SCHEMBL15425 0.68 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTHPGD

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed