SCHEMBL9065198

SCHEMBL9065198

Nc1ccccc1SC[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 14/20 0.49
▸ KYNU Q16719 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ DNMT1 P26358 1/20 0.45
▸ HSD17B10 Q99714 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
SCHEMBL5729277 1.00 KIF11 (0.49) KIF11KYNUPOLBALPIPKM
SCHEMBL6223407 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL1157625 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL342512 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL25766501 0.79 KIF11 (0.46) KIF11POLBDNMT1
SCHEMBL29180223 0.78 CPA3 (0.49) POLBHSD17B10
SCHEMBL759475 0.78 CPA1 (0.49) POLBHSD17B10
SCHEMBL7819718 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3319856 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL10981166 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 — — US claimed
CN-117551707-A Preparation method of S-substituted cysteine, AMA derivative and preparation method thereof 中国药科大学 2024-02-13 — — CN disclosed
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 — — US disclosed
US-5442104-A Neurological disorders UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-15 — — US disclosed
EP-0581907-A4 — — 1994-04-06 — — EP disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 — — EP disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 — — WO disclosed
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