SCHEMBL5805232

SCHEMBL5805232

Nc1nc(N)c(Cc2ccc3c(c2)OCO3)c(Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.53
HSP90AA1 P07900 2/20 0.53
HSP90B1 P14625 1/20 0.52
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LTB4R Q15722 1/20 0.47
MPO P05164 1/20 0.45
SLC2A1 P11166 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
SLC6A4 P31645 1/20 0.43
HSP90AB1 P08238 3/20 0.43
VKORC1 Q9BQB6 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL29549804 1.00 TRAP1 (0.53) TRAP1HSP90AA1HSP90B1ALDH1A1HSD17B10
SCHEMBL18552099 0.90 ALDH1A1 (0.53) TRAP1HSP90AA1ALDH1A1HSD17B10LTB4R
SCHEMBL5818018 0.81 ADORA1 (0.55) ALDH1A1HSD17B10LTB4RHSP90AB1ADORA1
SCHEMBL27612520 0.76 LTB4R (0.53) TRAP1HSP90AA1ALDH1A1HSD17B10LTB4R
SCHEMBL10488901 0.75 DHFR (0.62)
SCHEMBL6942102 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10LTB4RTAAR1SLC6A4
SCHEMBL27357112 0.74 HSP90AB1 (0.54) TRAP1ALDH1A1HSD17B10LTB4RHSP90AB1
SCHEMBL5819368 0.74 MAPT (0.48) ALDH1A1HSD17B10
SCHEMBL7797433 0.73 PDE5A (0.48) TRAP1HSP90AA1ALDH1A1HSD17B10LTB4R
SCHEMBL14201605 0.72 MPO (0.47) HSP90AA1ALDH1A1HSD17B10LTB4RMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952849-A2 COMPOSITIONS AND METHODS FOR INCREASING MUSCLE MASS AND OXIDATIVE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-16 EP disclosed
WO-2020210521-A2 COMPOSITIONS AND METHODS FOR INCREASING MUSCLE MASS AND OXIDATIVE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-15 WO disclosed
WO-2006078886-A2 COMPOUNDS AND COMPOSITIONS AS WNT SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2006-07-27 WO disclosed