SCHEMBL6897158

SCHEMBL6897158

N[C@@H](CS)C(=O)On1cnc2c(S)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 1/20 0.34
AHCY P23526 7/20 0.32
ADORA2A P29274 3/20 0.32
MARS1 P56192 2/20 0.32
ADORA1 P30542 2/20 0.32
EGFR P00533 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
NNMT P40261 1/20 0.31

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
SCHEMBL4201622 0.83 ALDH1A1 (0.42) ALDH1A1GSK3BAHCYADORA2AMARS1
SCHEMBL9663409 0.72 MARS1 (0.58) ALDH1A1GSK3BAHCYADORA2AMARS1
SCHEMBL9732187 0.72 ALDH1A1 (0.43) ALDH1A1GSK3BAHCYADORA2AADORA1
SCHEMBL10974937 0.70 P2RX7 (0.40) ALDH1A1ADORA2A
SCHEMBL7279752 0.69 ALDH1A1 (0.54) ALDH1A1AHCYADORA2AADORA1EGFR
SCHEMBL7279764 0.69 ALDH1A1 (0.54) ALDH1A1AHCYADORA2AADORA1EGFR
SCHEMBL7197911 0.69 HARS1 (0.50) ALDH1A1GSK3BMARS1
SCHEMBL28406873 0.68 ADORA2A (0.50) ALDH1A1GSK3BAHCYADORA2AADORA1
SCHEMBL14125909 0.65 ADORA2A (0.51) ALDH1A1GSK3BAHCYADORA2AADORA1
SCHEMBL16485904 0.64 GSK3B (0.48) ALDH1A1GSK3BAHCYADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975370-B9 COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES UNIV LELAND STANFORD JUNIOR (US) 2004-11-03 EP disclosed
EP-0975370-B1 COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES UNIV LELAND STANFORD JUNIOR (US) 2003-10-15 EP disclosed
US-20020131965-A1 Method for enhancing transport across biological membranes ROTHBARD JONATHAN R (US) 2002-09-19 US disclosed
US-6306993-B1 DELIVERY OF PICLITAXEL ACROSS BIOLOGICAL MEMBRANES ATTACHED TO A LINKER THE BOARD OF TRUSTEES OF THE LELAND STANFORD, JR. UNIVERSITY 2001-10-23 US disclosed
EP-0975370-A2 COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-02 EP disclosed
WO-1998052614-A2 COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-11-26 WO disclosed