SCHEMBL8522113

SCHEMBL8522113

CCSc1cc(NC(=O)OCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 9/20 0.40
LMNA P02545 4/20 0.40
ALOX12 P18054 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8445210 0.80 HTT (0.55) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL18134021 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8322697 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8446890 0.77 RORC (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8445302 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL12916012 0.73 MAPT (0.62) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL16404808 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8799965 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL8699013 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8521228 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1

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-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP disclosed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP disclosed