SCHEMBL9829434

SCHEMBL9829434

CSc1nc(=O)c(-c2ccccc2)c(C)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
PDGFRA P16234 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK5 Q00535 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
PIN1 Q13526 1/20 0.41

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
SCHEMBL11079720 0.74 POLB (0.56) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL9879119 0.71 HTT (0.48) XDHALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL7769423 0.69 KDM4E (0.69) XDHALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL26039905 0.69 ALDH1A1 (0.70) XDHALDH1A1LMNAPOLBGAA
SCHEMBL8407246 0.69 ALDH1A1 (0.50) XDHALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL1132916 0.68 ALDH1A1 (0.44) XDHALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9879442 0.67 ALDH1A1 (0.74) ALDH1A1L3MBTL1LMNAPOLBMAPT
SCHEMBL1902297 0.66 XDH (0.47) XDHALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3382433 0.66 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL10631883 0.65 PARP1 (0.51) XDHALDH1A1KDM4EL3MBTL1HPGD

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-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP disclosed