SCHEMBL7429957

SCHEMBL7429957

NC(=NO)c1nc(-c2cc(Cl)cc(Cl)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.43
ATP4B P51164 3/20 0.43
ALOX5 P09917 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 3/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
NPC1 O15118 1/20 0.35
ROCK1 Q13464 1/20 0.34
GLA P06280 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
SCHEMBL7437724 0.85 ATP4A (0.61) ATP4AATP4BMAPTALDH1A1LMNA
SCHEMBL7438579 0.84 MAPT (0.51) ALOX5MAPTALDH1A1LMNAHTT
SCHEMBL7441165 0.81 CYP3A4 (0.44) ATP4AATP4BALOX5MAPTALDH1A1
SCHEMBL7434501 0.81 ALOX5 (0.50) ALOX5MAPTMEN1KMT2AGAA
SCHEMBL7441627 0.78 ALDH1A1 (0.61) ATP4AATP4BALOX5MAPTALDH1A1
SCHEMBL7440079 0.77 PKM (0.47) ATP4AATP4BALDH1A1
SCHEMBL7436155 0.76 MAPT (0.42) ALOX5MAPTALDH1A1HTTMEN1
SCHEMBL7444066 0.76 MAPT (0.42) ALOX5MAPTALDH1A1HTTMEN1
SCHEMBL7430796 0.76 LTA4H (0.57) ATP4AATP4BALOX5MAPTALDH1A1
SCHEMBL7433535 0.75 MAPT (0.57) ALOX5MAPTALDH1A1LMNAHTT

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