SCHEMBL24496166

SCHEMBL24496166

CNCC(=O)OCc1cccnc1N(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ HTT P42858 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL22651234 0.91 RAB9A (0.38) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL23698605 0.90 HTT (0.35) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL23061476 0.89 HTT (0.37) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL17485425 0.89 RAB9A (0.39) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL24604442 0.89 RAB9A (0.36) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL22651406 0.88 ELANE (0.38) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL23084629 0.88 CHRM2 (0.34) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL22650959 0.87 NPC1 (0.36) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL24604432 0.86 NPC1 (0.35) HTTALDH1A1L3MBTL1NPC1CASP3
SCHEMBL23084630 0.85 NPC1 (0.35) HTTALDH1A1L3MBTL1NPC1CASP3

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
WO-2022117504-A1 COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION QURIENT CO., LTD. (KR) 2022-06-09 — — WO disclosed
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