SCHEMBL11493896

SCHEMBL11493896

CCCN(Cc1ccc(Cl)cc1)C(O)=S.CNC=O.NC(O)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.42
▸ MEN1 O00255 9/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LIMK1 P53667 1/20 0.37

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
SCHEMBL11490047 0.75 SIGMAR1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11494201 0.74 CNR2 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
Propane SCHEMBL11495361 0.74 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11539640 0.72 CNR2 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11496730 0.70 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL11491368 0.66 HPGD (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL442022 0.65 CA12 (0.52) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL25555106 0.65 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL7109342 0.65 MEN1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL20432050 0.64 CCR1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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-4202832-A ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US disclosed
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