SCHEMBL10845741

SCHEMBL10845741

O=C(O)[C@H](Cc1c[nH]cn1)Nc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 6/20 0.33
▸ GAA P10253 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ERCC5 P28715 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL497463 1.00 CYP2C19 (0.36) CYP2C19MEN1GAAKMT2ANPC1
Methane SCHEMBL28061561 0.99 CYP2C19 (0.35) CYP2C19MEN1GAAKMT2ANPC1
SCHEMBL11208659 0.80 PPARG (0.40) GAAKMT2ANPC1ITGB1ITGA4
SCHEMBL11208660 0.80 PPARG (0.40) GAAKMT2ANPC1ITGB1ITGA4
SCHEMBL4519604 0.78 MME (0.36) —
SCHEMBL14547050 0.77 GAA (0.38) MEN1GAAKMT2ANPC1HSD17B10
SCHEMBL9956549 0.76 ALDH1A1 (0.33) CYP2C19KMT2ANPC1HSD17B10MAPT
SCHEMBL9956545 0.76 ALDH1A1 (0.33) CYP2C19KMT2ANPC1HSD17B10MAPT
Benzene SCHEMBL27792631 0.76 CPB2 (0.35) SMN1; SMN2
SCHEMBL7607068 0.76 MME (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57212189-A — — None — — JP disclosed
CN-116949070-A Application of stem-free ganoderma ergothioneine genes Gregt1 and Gregt2 in synthesis of ergothioneine 华南农业大学 2023-10-27 — — CN disclosed
CN-115029398-A Method for improving yield of ergothioneine in pleurotus citrinopileatus cells 南京工业大学 2022-09-09 — — CN disclosed
US-4616081-A ANTIBIOTIC, BACTERICIDE WITH GOOD ABSORTION AND STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-10-07 — — US disclosed
EP-0068403-B1 CEPHALOSPORIN COMPOUND Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-08-13 — — EP disclosed
US-4477659-A ANTIBIOTICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-10-16 — — US disclosed
EP-0098609-A2 Novel cephalosporin compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-01-18 — — EP disclosed
EP-0068403-A2 Cephalosporin compound Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-01-05 — — EP disclosed
JP-S57212189-A NOVEL CEPHALOSPORIN COMPOUND ASAHI CHEM IND CO LTD 1982-12-27 — — JP disclosed
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