SCHEMBL10965716

SCHEMBL10965716

N#CCOC(=O)/C=C1/NC(=N)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3139928 1.00 KDM4E (0.34) KDM4EMAPK1CASP1HSD17B10ALDH1A1
SCHEMBL10625245 0.73 HDAC1 (0.36) ALDH1A1HDAC1
SCHEMBL10625247 0.73 HDAC1 (0.36) ALDH1A1HDAC1
SCHEMBL1176177 0.71 ALDH1A1 (0.31) HSD17B10ALDH1A1
SCHEMBL10576019 0.70 SMN1; SMN2 (0.37) KDM4EMAPK1ALDH1A1GAARAB9A
SCHEMBL8403668 0.69
SCHEMBL10625236 0.68 LMNA (0.39) MAPK1HSD17B10
SCHEMBL10625235 0.68 LMNA (0.39) MAPK1HSD17B10
SCHEMBL6301510 0.68 IDO1 (0.35) KDM4EALDH1A1
SCHEMBL10915486 0.68 GAA (0.44) KDM4EHSD17B10ALDH1A1GAARAB9A

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
EP-0036387-B1 PROCESS FOR THE PREPARATION OF HYDRAZONO-ISOINDOLINES CIBA-GEIGY AG (CH) 1986-01-22 EP disclosed
US-4414395-A REACTING AN IMINOISOINDOLE WITH HYDRAZINE CIBA-GEIGY CORPORATION (US) 1983-11-08 US disclosed
EP-0036387-A2 Process for the preparation of hydrazono-isoindolines CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed