SCHEMBL23506334

SCHEMBL23506334

O=C(CNC(=O)c1cc2ccccc2o1)N[C@@H](CC1CCCNC1=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAOB P27338 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39

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
SCHEMBL21702241 1.00 HPGD (0.48) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23506229 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL21702237 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711629 0.95 HPGD (0.50) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711720 0.94 TDP1 (0.45) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23711763 0.94 HDAC2 (0.41) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23711731 0.91 HPGD (0.39) HPGDALDH1A1TP53SMN1; SMN2CTSL
SCHEMBL23711733 0.90 TP53 (0.52) HPGDALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL23506457 0.89 RAB9A (0.41) HPGDALDH1A1TP53SMN1; SMN2MAOB
SCHEMBL23711730 0.89 CTSL (0.39) HPGDALDH1A1TP53SMN1; SMN2CTSL

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
EP-3835296-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-06-16 — — EP disclosed
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