SCHEMBL5081771

SCHEMBL5081771

Cc1nc(Cl)c2nc[nH]c2c1C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
EPAS1 Q99814 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
BTK Q06187 2/20 0.39
PHGDH O43175 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
LRRK2 Q5S007 4/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
JAK2 O60674 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL5085235 0.79 HPGD (0.45) SMN1; SMN2KMT2AEPAS1HTTHPGD
SCHEMBL5087486 0.71 KDM4E (0.43) SMN1; SMN2HTTHPGDALDH1A1
SCHEMBL4448054 0.70 LRRK2 (0.44) SMN1; SMN2KMT2AHTTBTKPHGDH
SCHEMBL2957069 0.69 MAPT (0.41) SMN1; SMN2KMT2AHTTPHGDHTSHR
SCHEMBL25280173 0.68 HPGD (0.52) SMN1; SMN2KMT2AEPAS1HTTHPGD
SCHEMBL19657112 0.67 HTT (0.47) SMN1; SMN2HTTHPGDBTKTSHR
SCHEMBL19657110 0.67 ACACB (0.53) SMN1; SMN2HPGDBTKALDH1A1
SCHEMBL11300565 0.66 ALDH1A1 (0.40) SMN1; SMN2KMT2ABTKALDH1A1MAPK1
SCHEMBL31733057 0.65 POLB (0.41) KMT2ABTKLRRK2JAK2
SCHEMBL11325494 0.65 POLB (0.41) KMT2ABTKLRRK2JAK2

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-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed