SCHEMBL8249060

SCHEMBL8249060

O=C(Cc1csc(NC(=O)OCc2cccnc2)n1)Nc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PRKACA P17612 1/20 0.47
ROCK1 Q13464 1/20 0.47
CTPS1 P17812 7/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
NAMPT P43490 1/20 0.43
PDE5A O76074 1/20 0.43
EGFR P00533 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
SCHEMBL8245297 0.85 PDE5A (0.54) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8250466 0.84 HTT (0.47) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8249057 0.84 HDAC1 (0.53) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL3603106 0.83 ALDH1A1 (0.53) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8246412 0.81 HDAC3 (0.54) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8248018 0.81 TSHR (0.49) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL13316882 0.80 CSNK1D (0.53) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8247956 0.80 HTT (0.46) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL5604178 0.79 MEN1 (0.61) MEN1KMT2AMAPTCTPS1PDE5A
SCHEMBL3599789 0.78 MAPT (0.46) HTTALDH1A1LMNAMAPTPRKACA

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
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO disclosed