SCHEMBL3672924

SCHEMBL3672924

CCC(N)c1ccccc1S

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3678678 0.85 TSHR (0.44) TSHRSLC6A4ALDH1A1SLC6A2TAAR1
SCHEMBL3675441 0.83 AOC3 (0.34) TSHRSLC6A4SLC6A2TAAR1MAOA
SCHEMBL3865062 0.77 ESR1 (0.46) TSHRSLC6A4MAOA
SCHEMBL382196 0.77 ESR1 (0.46) TSHRSLC6A4MAOA
SCHEMBL3863813 0.77 ESR1 (0.46) TSHRSLC6A4MAOA
SCHEMBL4340700 0.77 ALDH1A1 (0.48) TSHRSLC6A4ALDH1A1
SCHEMBL3671138 0.77 TSHR (0.39) TSHRSLC6A4ALDH1A1SLC6A2TAAR1
SCHEMBL1729214 0.77 MC4R (0.42) ALDH1A1
SCHEMBL12261511 0.77 MC4R (0.42) ALDH1A1
SCHEMBL1728842 0.77 MC4R (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed