SCHEMBL8470959

SCHEMBL8470959

Brc1ccc2c(c1)NCS2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
PNMT P11086 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP11 Q9NR21 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SNCA P37840 1/20 0.30

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
SCHEMBL8472050 0.85 SNCA (0.38) AHRCMA1PNMTPARP10PARP11
SCHEMBL1816443 0.80 MEN1 (0.53) AHRCMA1PNMTASIC3HDAC8
SCHEMBL19729091 0.77 MEN1 (0.30) MEN1ALDH1A1GAAKMT2A
SCHEMBL8471436 0.75 AURKA (0.36) AHRHDAC8PARP10PARP1MEN1
SCHEMBL8471276 0.75 HDAC4 (0.31) HDAC4HDAC8MEN1ALDH1A1GAA
SCHEMBL13820403 0.73 PARP10 (0.49) AHRCMA1PARP10PARP11PARP1
SCHEMBL13532374 0.71 PARP1 (0.38) PARP1MEN1ALDH1A1GAAKMT2A
SCHEMBL8471389 0.71 NOX1 (0.47) MEN1ALDH1A1GAAKMT2ASNCA
SCHEMBL27648588 0.71 CYP2A6 (0.38) ALDH1A1
SCHEMBL1332876 0.69 HTT (0.59) AHRCMA1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024372-A Synthesis method of benzothiazoline 温州大学新材料与产业技术研究院 2023-11-10 CN disclosed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO 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
US-3943142-A Dye intermediates and their preparation and use in the synthesis of methine dyes EASTMAN KODAK COMPANY (US) 1976-03-09 US disclosed