SCHEMBL6580197

SCHEMBL6580197

CCS(=O)(=O)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 2/20 0.49
DAO P14920 1/20 0.49
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
AURKA O14965 1/20 0.40
CHRM1 P11229 2/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL644925 0.85 CYP1A2 (0.49) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL4434568 0.82 DAO (0.52) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL27635697 0.81 MEN1 (0.44) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL4063446 0.76 CHRM1 (0.50) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL29358626 0.73 CYP1A2 (1.00) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL612643 0.73 CYP1A2 (1.00) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL31325586 0.71 ALDH3A1 (0.49) CYP1A2MEN1KMT2APOLBDAO
SCHEMBL29695523 0.70 CYP1A2 (0.74) CYP1A2MEN1KMT2APOLBRAB9A
SCHEMBL763168 0.70 CYP1A2 (0.74) CYP1A2MEN1KMT2APOLBRAB9A
SCHEMBL104742 0.70 LMNA (0.63) CYP1A2MEN1KMT2APOLBDAO

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
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed