SCHEMBL8051983

SCHEMBL8051983

O=C(O)c1cnc(Sc2nnnn2-c2ccc([N+](=O)[O-])s2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TLR9 Q9NR96 3/20 0.34

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
SCHEMBL8043929 0.87 MAPK8 (0.47) MAPTALDH1A1HTTGAAPKM
SCHEMBL8046591 0.84 ALDH1A1 (0.39) MAPTALDH1A1HTTGAAPKM
SCHEMBL8042066 0.83 RXRA (0.39) MAPTALDH1A1HTTPKMKMT2A
SCHEMBL8034225 0.83 ALDH1A1 (0.38) MAPTALDH1A1HTTGAAPKM
SCHEMBL8044109 0.81 MAPT (0.39) MAPTALDH1A1HTTGAAPKM
SCHEMBL8044381 0.80 ALDH1A1 (0.36) MAPTALDH1A1HTTGAAPKM
SCHEMBL8043315 0.78 ALDH1A1 (0.37) MAPTALDH1A1HTTGAAPKM
SCHEMBL8042606 0.78 ALDH1A1 (0.37) MAPTALDH1A1HTTGAAPKM
SCHEMBL8044465 0.78 ALDH1A1 (0.51) MAPTALDH1A1HTTGAAPKM
SCHEMBL8050613 0.78 MAPT (0.46) MAPTALDH1A1HTTGAAPKM

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