SCHEMBL9045517

SCHEMBL9045517

Nc1nc(CSc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 8/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9046733 0.81 ALDH1A1 (0.58) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL8934557 0.80 MAPT (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5149849 0.78 MAPT (0.57) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9048064 0.78 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Bromide SCHEMBL21382416 0.77 MAPT (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9047133 0.76 RAB9A (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL15512235 0.73 IDO1 (0.63) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1068291 0.71 MAPT (0.97) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL17519851 0.71 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
Bromide SCHEMBL8359253 0.70 MAPT (1.00) MAPTALDH1A1MEN1KMT2ANPC1

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-0412404-B1 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-31 EP disclosed
US-5369107-A Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-29 US disclosed
US-5256675-A Antirheumatic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0412404-A2 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-13 EP disclosed