SCHEMBL8469291

SCHEMBL8469291

O=[N+]([O-])c1ccc2c(c1)SCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.51
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS1 P29475 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TXNRD1 Q16881 1/20 0.40

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
SCHEMBL8471691 0.88 MAPT (0.59) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL499539 0.83 SNCA (0.49) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL30970176 0.77 TDP1 (0.50) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL8968246 0.75 SNCA (0.48) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL499574 0.75 MAOA (0.57) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL29625234 0.74 SNCA (0.84) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL1208092 0.74 SNCA (0.84) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL8115442 0.73 SNCA (0.54) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL10353386 0.72 SNCA (0.52) SNCAMAPTNPC1RAB9ACAPN9
SCHEMBL24982 0.72 MAPT (0.49) SNCAMAPTNPC1RAB9ACAPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204018-B Acrylic compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-08-29 CN disclosed
CN-111170961-B Photocatalytic synthesis method of C2 substituted 2H-benzothiazole hydroxyalkylation derivative 浙江工业大学 2021-11-02 CN disclosed
CN-111170961-A Photocatalytic synthesis method of C2 substituted 2H-benzothiazole hydroxyalkylation derivative 浙江工业大学 2020-05-19 CN disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed