SCHEMBL4590541

SCHEMBL4590541

Clc1ncc(CN2CCOCC2)s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 4/20 0.63
RECQL P46063 1/20 0.63
KMT2A Q03164 1/20 0.63
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2A13 Q16696 2/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CXCR4 P61073 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12654042 0.84 SMN1; SMN2 (0.51) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL486699 0.84 ALDH1A1 (0.66) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL28975291 0.82 NPC1 (0.59) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL470928 0.81 SMN1; SMN2 (0.58) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL3085138 0.81 ALDH1A1 (0.67) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL1032607 0.81 SMN1; SMN2 (0.51) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL27814718 0.81 ALDH1A1 (0.62) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL12079342 0.79 ALDH1A1 (0.60) ALDH1A1LMNARECQLKMT2AGAA
Hydrochloric Acid SCHEMBL458310 0.79 SMN1; SMN2 (0.50) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL16854340 0.78 ALDH1A1 (0.72) ALDH1A1LMNARECQLKMT2AGAA

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
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
WO-2014092194-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2014-06-19 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed