SCHEMBL31403404

SCHEMBL31403404

[2H]N1C(c2ccccc2)=C(c2ccccc2)SC1N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 3/20 0.32
MAOB P27338 1/20 0.32
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14222465 0.61 ALDH1A1 (0.44) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL2574161 0.58 ALDH1A1 (0.82) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
SCHEMBL29560186 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL1358618 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
SCHEMBL30108088 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL4002609 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL29008551 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL164 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
Biphenyl SCHEMBL2548048 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
SCHEMBL30629023 0.58 ALDH1A1 (1.00) ALDH1A1CYP3A4TAAR1HSD17B10TDP1

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
CN-115433958-B Electrochemical synthesis method of 2-aminothiazole compound 北京工商大学 2025-02-21 CN disclosed