SCHEMBL31463453

SCHEMBL31463453

CC(C)OC(=O)c1cc(NC[C@@H]2CCO2)c(N)c(OC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ ALDH1A1 P00352 10/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ PTGER4 P35408 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL31463454 1.00 KMT2A (0.37) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL31463393 0.84 HCAR3 (0.42) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL27176929 0.83 KDM4E (0.42) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL31159781 0.83 ALDH1A1 (0.43) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL29258840 0.79 HCAR3 (0.43) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL29258838 0.79 HCAR3 (0.43) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL30966520 0.78 ALDH1A1 (0.47) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL30269431 0.78 KDM4E (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL31321908 0.77 KMT2A (0.37) KMT2AHCAR3ALDH1A1MAPTMEN1
SCHEMBL27176969 0.77 ALDH1A1 (0.39) KMT2AALDH1A1MAPTMEN1KDM4E

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-2025021048-A1 POLYCYCLIC COMPOUND AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2025-01-30 — — WO disclosed
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