SCHEMBL7438575

SCHEMBL7438575

N=C(NO)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
ABL1 P00519 1/20 0.48
ALOX5 P09917 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALOX15 P16050 2/20 0.47
EGFR P00533 1/20 0.47
DEGS1 O15121 1/20 0.47
MAP4K4 O95819 1/20 0.47
CYP3A4 P08684 1/20 0.47
AMY1A P0DUB6 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
VCP P55072 1/20 0.47
PIM3 Q86V86 1/20 0.47
MINK1 Q8N4C8 1/20 0.47

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
SCHEMBL7438464 0.86 MAPT (0.54) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL7430766 0.86 LTA4H (0.53) RAB9ANPC1MAPTALDH1A1ALOX5
SCHEMBL7429950 0.84 ALOX5 (0.39) RAB9ANPC1MAPTALDH1A1ABL1
SCHEMBL7430029 0.84 ALDH1A1 (0.52) RAB9ANPC1MAPTALDH1A1ALOX5
SCHEMBL7433530 0.84 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1ALOX5
SCHEMBL7441613 0.84 MAPT (0.50) RAB9ANPC1MAPTALDH1A1ALOX5
SCHEMBL7434491 0.84 ABL1 (0.51) RAB9ANPC1MAPTABL1ALOX5
SCHEMBL7437716 0.82 ABL1 (0.52) RAB9ANPC1MAPTABL1MEN1
SCHEMBL7444812 0.81 HDAC1 (0.49) MAPTALDH1A1ALOX5MEN1KMT2A
SCHEMBL7435763 0.81 MAPT (0.55) RAB9ANPC1MAPTALDH1A1ALOX5

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