SCHEMBL29270314

SCHEMBL29270314

NC(=S)NOC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ SLC7A5 Q01650 1/20 0.58

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
SCHEMBL388562 0.82 CYP3A4 (0.73) CYP3A4SLC7A5
SCHEMBL29128804 0.82 CYP3A4 (0.56) CYP3A4SLC7A5
SCHEMBL1581156 0.81 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL262239 0.81 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL3846866 0.81 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL1537285 0.81 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL163444 0.81 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL28209701 0.81 CYP3A4 (0.55) CYP3A4SLC7A5
Hydrochloric Acid SCHEMBL7321531 0.80 CYP3A4 (0.65) CYP3A4SLC7A5
Hydrochloric Acid SCHEMBL27541751 0.80 CYP3A4 (0.65) CYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118319905-A Application of ergothioneine in preparation of medicines for preventing and reducing ear injury and improving hearing 中国药科大学 2024-07-12 — — CN disclosed
Send feedback