SCHEMBL7438472

SCHEMBL7438472

NC(=NO)c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 10/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 5/20 0.54
LMNA P02545 6/20 0.51
LTA4H P09960 1/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
F2 P00734 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.44
ATP4A P20648 2/20 0.41

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
SCHEMBL7430796 0.86 LTA4H (0.57) RAB9AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7430035 0.84 ALDH1A1 (0.63) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7433535 0.84 MAPT (0.57) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7438579 0.84 MAPT (0.51) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7441627 0.84 ALDH1A1 (0.61) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7435903 0.82 ALDH1A1 (0.60) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7437902 0.81 LMNA (0.61) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7444819 0.81 LTA4H (0.51) RAB9AALDH1A1MAPTLMNALTA4H
SCHEMBL7435769 0.81 MAPT (0.60) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7436562 0.78 PTGS2 (0.45) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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