SCHEMBL6790936

SCHEMBL6790936

Cc1ccccc1C1SC1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ACHE P22303 2/20 0.41
HTR2C P28335 6/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
PBRM1 Q86U86 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL635175 0.73 HSPA5 (0.34)
SCHEMBL637116 0.73
SCHEMBL636190 0.70 GAA (0.39) MEN1KMT2A
SCHEMBL6907948 0.68 ACHE (0.43) TSHRACHEHTR2CDDB1CRBN
SCHEMBL6907952 0.68 ACHE (0.43) TSHRACHEHTR2CDDB1CRBN
SCHEMBL17393757 0.67 ACHE (0.47) TSHRACHEHTR2CDDB1CRBN
SCHEMBL9805304 0.67 HTR2C (0.50) TSHRACHEHTR2CDDB1CRBN
SCHEMBL13937548 0.66 SMN1; SMN2 (0.39) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19245043 0.65 HTR2C (0.48) TSHRACHEHTR2CDDB1CRBN
SCHEMBL7753619 0.65 MAPT (0.44) TSHRACHEHTR2CDDB1CRBN

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
US-20040158031-A1 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-08-12 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
CN-1397589-A Prodn. method of optical material MITSUBISHI GAS KASEI CO LTD (JP) 2003-02-19 CN disclosed
WO-2001070722-A2 POLYFUNCTIONAL THIIRANE COMPOUNDS PPG INDUSTRIES OHIO, INC. (US) 2001-09-27 WO disclosed
WO-2001070853-A2 METHOD OF PREPARING A POLYMERIZATE PPG INDUSTRIES OHIO, INC. (US) 2001-09-27 WO disclosed