SCHEMBL22157992

SCHEMBL22157992

O=[N+]([O-])c1csc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.47
CSNK2A1 P68400 1/20 0.46
MAPT P10636 7/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GAA P10253 1/20 0.45
APP P05067 1/20 0.44
NFE2L2 Q16236 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL5575054 0.82 HSD17B1 (0.47) ALDH1A1LMNATSHRMAPTRAB9A
SCHEMBL6067941 0.77 TSHR (0.44) ALDH1A1LMNATSHRCSNK2A1RAB9A
SCHEMBL16990732 0.77 ALDH1A1 (0.45) ALDH1A1LMNATSHRMAPTSMN1; SMN2
SCHEMBL6067967 0.76 MEN1 (0.43) ALDH1A1LMNATSHRMAPTRAB9A
Dinitrophenylene SCHEMBL27704073 0.74 TSHR (0.77) ALDH1A1LMNATSHRMAPTRAB9A
SCHEMBL11523469 0.73 APP (0.61) ALDH1A1LMNATSHRCSNK2A1MAPT
SCHEMBL29526232 0.72 TSHR (0.67) ALDH1A1LMNATSHRMAPTRAB9A
SCHEMBL2009026 0.72 TSHR (0.67) ALDH1A1LMNATSHRMAPTRAB9A
SCHEMBL11519845 0.72 APP (0.85) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL27994436 0.71 APP (0.55) ALDH1A1LMNATSHRMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115308417-A SERS double-protein on-site instant detection method for serum myocardial infarction marker 厦门大学 2022-11-08 CN disclosed
US-20200208285-A1 ELECTROLYTIC SN OR SN ALLOY PLATING SOLUTION AND METHOD FOR PRODUCING SN OR SN ALLOY PLATED ARTICLE UEMURA KOGYO KK (JP) 2020-07-02 US disclosed