SCHEMBL2805776

SCHEMBL2805776

Oc1cc(O)nc(N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
HRH1 P35367 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
GALR3 O60755 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 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
SCHEMBL11305784 0.90 CASP1 (0.39) CASP1CASP4CASP5HRH1SMN1; SMN2
SCHEMBL8899220 0.83 HRH4 (0.54) CASP1CASP4CASP5SMN1; SMN2USP2
SCHEMBL2815977 0.79 KMT2A (0.55) SMN1; SMN2ALDH1A1MAPK1KMT2AHTT
SCHEMBL1975340 0.78 HRH1 (0.70) CASP1CASP4CASP5HRH1SMN1; SMN2
SCHEMBL11737861 0.78 HSD17B10 (0.63) CASP1SMN1; SMN2USP2TDP1ALDH1A1
SCHEMBL11743038 0.76 HSD17B10 (0.66) CASP1SMN1; SMN2USP2TDP1ALDH1A1
SCHEMBL11736253 0.76 HSD17B10 (0.66) CASP1SMN1; SMN2USP2TDP1ALDH1A1
SCHEMBL11208162 0.75 SMN1; SMN2 (0.71) HRH1SMN1; SMN2USP2TDP1ALDH1A1
SCHEMBL29754406 0.75 CASP1 (0.80) CASP1CASP4CASP5HRH1SMN1; SMN2
SCHEMBL1697668 0.73 CASP1 (0.48) CASP1CASP4CASP5HRH1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed