SCHEMBL8047837

SCHEMBL8047837

O=[N+]([O-])c1ccc(C2=NC(=S)N=N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
XDH P47989 1/20 0.40
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 2/20 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
SCHEMBL8043920 0.82 CYP19A1 (0.52) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL8033685 0.80 LMNA (0.48) MAPTALDH1A1L3MBTL1LMNAGAA
SCHEMBL9860671 0.71 POLB (0.51) MAPTALDH1A1POLBGFERCA12
SCHEMBL6423919 0.71 CA1 (0.67) APPMAPTALDH1A1POLBLMNA
SCHEMBL28198 0.71 CA1 (0.67) APPMAPTALDH1A1POLBLMNA
SCHEMBL8044621 0.70 MEN1 (0.40) ALDH1A1
SCHEMBL4877279 0.70 ALDH1A1 (0.38) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL8044178 0.69 ALDH1A1 (0.35) ALDH1A1
Water SCHEMBL28670631 0.69 CA1 (0.64) APPMAPTALDH1A1POLBLMNA
SCHEMBL27752664 0.68 ALDH1A1 (0.65) APPALDH1A1LMNACA12CA1

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