SCHEMBL8082374

SCHEMBL8082374

C#Cc1ccc(Cl)cc1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 1/20 0.53
EPHX1 P07099 1/20 0.45
KMT2A Q03164 6/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41
HDAC1 Q13547 1/20 0.40
PTK2 Q05397 1/20 0.40
DYRK1A Q13627 1/20 0.40
FSCN1 Q16658 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4342270 0.83 ALDH1A1 (0.58) KDM4EHSD17B10EPHX1KMT2AMAPT
SCHEMBL3782005 0.78 KDM4E (0.68) KDM4EHSD17B10EPHX1KMT2APOLB
SCHEMBL2388970 0.77 EPHX1 (0.70) KDM4EHSD17B10EPHX1KMT2APOLB
SCHEMBL7707267 0.76 ALDH1A1 (0.61) KDM4EHSD17B10KMT2ANPC1MAPT
SCHEMBL3048096 0.75 ALDH1A1 (0.55) HSD17B10KMT2APOLBNPC1MAPT
SCHEMBL6106176 0.75 GAA (0.63) KDM4EHSD17B10KMT2APOLBMAPT
SCHEMBL1952367 0.75 POLB (0.67) KDM4EHSD17B10EPHX1KMT2APOLB
SCHEMBL30296233 0.75 KDM4E (0.59) KDM4EHSD17B10EPHX1KMT2APOLB
SCHEMBL1249700 0.75 KCNMA1 (0.64) KDM4EHSD17B10KMT2APOLBNPC1
SCHEMBL9403860 0.75 KDM4E (0.59) KDM4EHSD17B10EPHX1KMT2APOLB

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
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed