SCHEMBL31489148

SCHEMBL31489148

Nc1ccc(C23CC(NC(=O)OCc4ccccc4)(C2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ F2 P00734 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL31489034 0.83 RAB9A (0.47) NPC1RAB9A
SCHEMBL31489162 0.81 MAPT (0.46) LMNASMN1; SMN2TSHRALDH1A1GAA
SCHEMBL28821026 0.81 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL30059309 0.79 LMNA (0.49) CA12CA1CA2CA9LMNA
SCHEMBL38659346 0.79 NPC1 (0.43) CA12CA1CA2CA9LMNA
SCHEMBL20564912 0.78 ALDH1A1 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL23671289 0.77 LMNA (0.47) CA12CA1CA2CA9LMNA
SCHEMBL22585249 0.77 LMNA (0.47) CA12CA1CA2CA9LMNA
SCHEMBL29899382 0.77 LMNA (0.47) CA12CA1CA2CA9LMNA
SCHEMBL13878591 0.77 EPHX2 (0.47) LMNASMN1; SMN2ALDH1A1

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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