SCHEMBL1462233

SCHEMBL1462233

CC(Cl)SC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 4/20 0.39
MEN1 O00255 2/20 0.38
HBB P68871 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ACP3 P15309 2/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL577805 0.85 ALDH1A1 (0.46) TSHRKMT2AL3MBTL1ALDH1A1TAAR1
SCHEMBL10297589 0.80 ALDH1A1 (0.43) TSHRKMT2AL3MBTL1ALDH1A1TAAR1
SCHEMBL24514929 0.76 TAAR1 (0.40) KMT2AL3MBTL1ALDH1A1TAAR1MEN1
SCHEMBL28313130 0.76 KMT2A (0.40) KMT2AL3MBTL1ALDH1A1TAAR1MEN1
SCHEMBL20854763 0.76 ALDH1A1 (0.50) TSHRKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL11777655 0.76 KMT2A (0.37) TSHRKMT2AL3MBTL1ALDH1A1TAAR1
Bromide SCHEMBL20854776 0.74 ALDH1A1 (0.48) TSHRKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL775627 0.74 KMT2A (0.45) TSHRKMT2AL3MBTL1ALDH1A1TAAR1
Hydrochloric Acid SCHEMBL15668481 0.74 TSHR (0.55) TSHRKMT2AALDH1A1TAAR1MEN1
SCHEMBL20809867 0.72 KMT2A (0.44) TSHRKMT2AL3MBTL1ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071334-A1 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-24 US disclosed