SCHEMBL11013164

SCHEMBL11013164

COc1cc(SC)ccc1/C(=C\N(C)C)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ HPGD P15428 8/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL11013166 1.00 GAA (0.52) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL17338653 0.82 NPC1 (0.51) HPGDALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL18807176 0.82 PLAU (0.44) HPGDALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5730222 0.82 NPC1 (0.51) HPGDALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5730216 0.82 NPC1 (0.51) HPGDALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1018591 0.78 GAA (0.65) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL503977 0.75 GAA (0.65) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL8581819 0.74 HPGD (0.62) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL11004922 0.73 AKR1C3 (0.48) GAAHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11004920 0.73 AKR1C3 (0.48) GAAHPGDALDH1A1SMN1; SMN2LMNA

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
US-4530842-A Containing a cyano substitution in position 3 SANDOZ LTD. (CH) 1985-07-23 — — US disclosed
WO-1983004024-A1 2(1H)-PYRIDONE DERIVATIVES, PREPARATION THEREOF AND COMPOSITION CONTAINING THEM SANDOZ AG (CH) 1983-11-24 — — WO disclosed
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