SCHEMBL8043000

SCHEMBL8043000

Fc1ccccc1C1=NC(=S)N=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.42
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NOTUM Q6P988 2/20 0.35
IDO1 P14902 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPC1 O15118 3/20 0.34
NISCH Q9Y2I1 1/20 0.34
MPL P40238 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
CXCR2 P25025 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL8043756 0.76 ALDH1A1 (0.42) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
SCHEMBL8046050 0.76 ALDH1A1 (0.42) DCUN1D1ALDH1A1KDM4EIDO1TDP1
SCHEMBL8045296 0.76 DCUN1D1 (0.42) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
SCHEMBL8033674 0.72 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL4877279 0.70 ALDH1A1 (0.38) DCUN1D1ALDH1A1KDM4ENOTUMTDP1
SCHEMBL197834 0.67 ACHE (0.47) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
SCHEMBL29547174 0.67 ACHE (0.47) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
Hydrogen Sulfide SCHEMBL10700223 0.64 ACHE (0.45) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
SCHEMBL30389980 0.64 PTPRC (0.48) DCUN1D1ALDH1A1KDM4ENOTUMIDO1
SCHEMBL5706297 0.64 PTPRC (0.48) DCUN1D1ALDH1A1KDM4ENOTUMIDO1

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