SCHEMBL11280392

SCHEMBL11280392

Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)O)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
PKM P14618 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
POLB P06746 1/20 0.63
RAB9A P51151 1/20 0.56
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ALOX5 P09917 2/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3886944 0.82 MAPT (0.89) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11284789 0.81 ALDH1A1 (0.70) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9621677 0.80 MAPT (0.67) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30818066 0.80 MAPT (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2762916 0.80 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11285727 0.79 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL874739 0.77 RAB9A (0.71) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10985021 0.77 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1304933 0.76 MAPT (0.78) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9426427 0.75 SRD5A2 (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 US disclosed