SCHEMBL28335299

SCHEMBL28335299

CC(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL162081 0.99 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7162432 0.97 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Water SCHEMBL4467558 0.97 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL25236169 0.93 CYP3A4 (0.74) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL6364491 0.89 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL27759486 0.88 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.88 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Sulfuric Acid SCHEMBL28796991 0.88 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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
CN-110538321-B CD47 antibody pharmaceutical composition and application thereof 江苏恒瑞医药股份有限公司 2023-03-10 — — CN disclosed
CN-110538321-A CD47 antibody pharmaceutical composition and application thereof JIANGSU HENGRUI MEDICINE CO 2019-12-06 — — CN disclosed
Send feedback