SCHEMBL2477477

SCHEMBL2477477

CC1=C[CH]CC=C1N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.34
CTSS P25774 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2485210 0.72 KMT2A (0.33) KMT2AMEN1
SCHEMBL2483016 0.70 GPR119 (0.30)
SCHEMBL2483080 0.69 LMNA (0.44) NPSR1LMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2482791 0.69 CASP1 (0.34)
SCHEMBL4778694 0.65 LMNA (0.50) NPSR1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL20840303 0.65 LMNA (0.50) NPSR1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL737197 0.65
SCHEMBL82680 0.63 MEN1 (0.69) NPSR1LMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17411276 0.61 LMNA (0.69) NPSR1LMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3436309 0.61 ALDH1A1 (0.76) NPSR1LMNAALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed