SCHEMBL3811045

SCHEMBL3811045

O=S(=O)(NCC1CCC1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.86
ALDH1A1 P00352 3/20 0.69
PKM P14618 1/20 0.69
KMT2A Q03164 5/20 0.63
CTSL P07711 3/20 0.59
CTSK P43235 3/20 0.59
CTSB P07858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 2/20 0.56
PARG Q86W56 1/20 0.55
KEAP1 Q14145 1/20 0.55
NPC1 O15118 1/20 0.53

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
SCHEMBL8394068 0.96 GBA1 (0.86) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL7886816 0.95 GBA1 (0.83) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL8396377 0.95 GBA1 (0.83) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL2470122 0.93 GBA1 (1.00) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL13543087 0.85 GBA1 (0.78) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL14606609 0.85 GBA1 (0.84) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL4979102 0.85 GBA1 (0.84) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL9834675 0.85 GBA1 (0.78) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL17206065 0.83 GBA1 (0.65) GBA1ALDH1A1PKMKMT2ACTSL
SCHEMBL9834810 0.83 GBA1 (0.65) GBA1ALDH1A1PKMKMT2ACTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009129365-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed