SCHEMBL9352248

SCHEMBL9352248

O=C(O)CC(=O)c1ccc(CS)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HAO1 Q9UJM8 4/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ ENPEP Q07075 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ERCC5 P28715 3/20 0.41
▸ FEN1 P39748 3/20 0.41
▸ FOLH1 Q04609 3/20 0.41

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
SCHEMBL29249309 0.84 KMT2A (0.62) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL31565713 0.80 HDAC3 (0.39) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL28034427 0.79 ALDH1A1 (0.63) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL28054494 0.79 HDAC3 (0.57) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL9352962 0.79 CA1 (0.55) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL9352579 0.78 TSHR (0.60) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL315781 0.78 ALDH1A1 (0.60) KMT2AMEN1KDM4EMAPTALOX15
SCHEMBL6631999 0.77 GSK3B (0.59) CES1FOLH1IDO1PTPN1
SCHEMBL306422 0.77 MAPT (0.53) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL10645186 0.76 ALDH1A1 (0.58) KMT2AMEN1KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412933-B1 Coating compositions CIBA GEIGY AG (CH) 1994-09-14 — — EP disclosed
US-5183842-A Mixture of ketoacid and amine with film-forming binder, curing CIBA-GEIGY CORPORATION (US) 1993-02-02 — — US disclosed
US-5128396-A Corrosion inhibiting primers on metallic substrates CIBA-GEIGY CORPORATION (US) 1992-07-07 — — US disclosed
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