SCHEMBL7301245

SCHEMBL7301245

Cc1nn(Cc2ccc3c(c2)OCO3)c(N)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
MAPK1 P28482 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CMA1 P23946 1/20 0.46
PDE5A O76074 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TRAP1 Q12931 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7303767 0.75 TSHR (1.00) TSHRALDH1A1HSD17B10HPGDKMT2A
SCHEMBL7305823 0.74 TSHR (0.76) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL13308598 0.73 HSD17B10 (0.45) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL1491086 0.72 CMA1 (0.56) TSHRALDH1A1HSD17B10KMT2AMEN1
SCHEMBL3077245 0.71 SMN1; SMN2 (0.47) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL7311114 0.71 TSHR (0.75) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL22639937 0.71 QPCT (0.50) TSHRCDC25ACDC25BALDH1A1LMNA
SCHEMBL7302490 0.67 TSHR (0.59) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL7297521 0.66 TSHR (0.67) TSHRALDH1A1LMNAHSD17B10HPGD
SCHEMBL28330025 0.66 TSHR (0.64) TSHRLMNAHSD17B10KMT2AMEN1

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
EP-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed