SCHEMBL8043920

SCHEMBL8043920

O=[N+]([O-])c1cc(C2=NC(=S)N=N2)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
LMNA P02545 6/20 0.36
TSHR P16473 2/20 0.36
VCAM1 P19320 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8033685 0.83 LMNA (0.48) LMNATSHRSMN1; SMN2MAPTMEN1
SCHEMBL8047837 0.82 APP (0.43) LMNAMAPTALDH1A1POLBL3MBTL1
SCHEMBL8044621 0.73 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9A
SCHEMBL5958784 0.71 CYP19A1 (1.00) CYP19A1LMNATSHRVCAM1SMN1; SMN2
SCHEMBL212845 0.68 CYP19A1 (0.81) CYP19A1LMNATSHRVCAM1SMN1; SMN2
SCHEMBL8542885 0.68 LMNA (0.50) LMNATSHRSMN1; SMN2MAPTMEN1
SCHEMBL9789477 0.66 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1SMN1; SMN2
SCHEMBL16541066 0.66 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1SMN1; SMN2
SCHEMBL9789472 0.66 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1SMN1; SMN2
SCHEMBL29395454 0.66 CYP19A1 (0.77) CYP19A1LMNATSHRVCAM1SMN1; SMN2

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed