SCHEMBL7429950

SCHEMBL7429950

N=C(NO)c1nc(-c2cc(Cl)cc(Cl)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ABL1 P00519 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 5/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 2/20 0.33
GLA P06280 1/20 0.33
ENPP2 Q13822 1/20 0.33
GSTO1 P78417 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7437716 0.85 ABL1 (0.52) ABL1TP53MAPTCYP1A1CYP1A2
SCHEMBL7438575 0.84 RAB9A (0.50) ALOX5ABL1MAPTNPC1ALDH1A1
SCHEMBL7434491 0.81 ABL1 (0.51) ALOX5ABL1TP53MAPTCYP1A2
SCHEMBL7441613 0.78 MAPT (0.50) ALOX5MAPTCYP1A2NPC1ALDH1A1
SCHEMBL7440072 0.77 PKM (0.50) MAPTNPC1ALDH1A1RAB9ACYP19A1
SCHEMBL7444059 0.76 MAPT (0.40) ALOX5MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL7436144 0.76 THRB (0.40) ALOX5MAPTNPC1ALDH1A1MEN1
SCHEMBL7430766 0.76 LTA4H (0.53) ALOX5TP53MAPTNPC1ALDH1A1
SCHEMBL7438464 0.76 MAPT (0.54) TP53MAPTCYP1A2NPC1ALDH1A1
SCHEMBL7430029 0.75 ALDH1A1 (0.52) ALOX5TP53MAPTNPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed