SCHEMBL5085235

SCHEMBL5085235

Cc1nc(Cl)c2cc[nH]c2c1C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
TAF1 P21675 3/20 0.44
KMT2A Q03164 1/20 0.44
EPAS1 Q99814 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
PHGDH O43175 1/20 0.41
BCHE P06276 1/20 0.40
TSHR P16473 1/20 0.40
BRD9 Q9H8M2 4/20 0.40
BRD4 O60885 2/20 0.40
CECR2 Q9BXF3 2/20 0.40
JAK1 P23458 1/20 0.40
HTT P42858 1/20 0.40
LRRK2 Q5S007 3/20 0.40
TRIM24 O15164 1/20 0.40
BRD2 P25440 1/20 0.40
SMARCA4 P51532 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL5141508 0.79 CNR2 (0.59) HPGDKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL5081771 0.79 SMN1; SMN2 (0.41) HPGDKMT2AEPAS1SMN1; SMN2PHGDH
SCHEMBL3990689 0.73 LMNA (0.50) TAF1SMN1; SMN2PHGDHTSHRBRD9
SCHEMBL5359457 0.68 CNR2 (0.44) TAF1PKMJAK1
SCHEMBL25280173 0.68 HPGD (0.52) HPGDKMT2AEPAS1SMN1; SMN2PKM
SCHEMBL4205586 0.67 PHGDH (0.50) HPGDKMT2AEPAS1SMN1; SMN2PKM
SCHEMBL19657107 0.66 KDM4E (0.51) HPGDKMT2ASMN1; SMN2PHGDHTSHR
SCHEMBL29853928 0.66 PTPRC (0.42) KMT2ASMN1; SMN2JAK1ALDH1A1MAPK1
SCHEMBL29045251 0.66 PTPRC (0.42) KMT2ASMN1; SMN2JAK1ALDH1A1MAPK1
SCHEMBL7854134 0.65 KMT2A (0.60) HPGDKMT2AEPAS1SMN1; SMN2PKM

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