SCHEMBL11095421

SCHEMBL11095421

CC(C)(C)CNC(=O)c1ccccc1SC#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ 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
▸ LMNA P02545 5/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11097216 0.84 KMT2A (0.58) HPGDKMT2AGAAL3MBTL1LMNA
SCHEMBL11094447 0.82 MAPT (0.47) HPGDKMT2AL3MBTL1LMNAPOLB
SCHEMBL11096087 0.79 HPGD (0.47) HPGDKMT2AGAACYP1A2CYP3A4
SCHEMBL11084593 0.79 SLC6A2 (0.54) HPGDKMT2AGAALMNAPOLB
SCHEMBL11433183 0.78 KMT2A (0.67) HPGDKMT2AGAAL3MBTL1LMNA
SCHEMBL11091273 0.78 ALDH1A1 (0.59) HPGDKMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL11095220 0.78 HPGD (0.46) HPGDKMT2AGAACYP1A2CYP3A4
SCHEMBL12263873 0.77 HPGD (0.46) HPGDKMT2AGAAL3MBTL1LMNA
SCHEMBL11440098 0.75 POLB (0.42) HPGDKMT2AGAAL3MBTL1LMNA
SCHEMBL20987656 0.74 HPGD (0.43) HPGDKMT2AGAAL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0018100-B1 SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-18 — — EP disclosed
EP-0018100-A2 Substituted aromatic biologically active compound, a process for its preparation and its use as biocide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 — — EP disclosed
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