SCHEMBL9954543

SCHEMBL9954543

CSc1nc2ccc(Br)cc2c(=O)n1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
PDE7A Q13946 3/20 0.56
ALOX12 P18054 1/20 0.50
MDM2 Q00987 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HCAR1 Q9BXC0 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL3337074 0.88 PDE7A (0.63) ALDH1A1PDE7ALMNASMN1; SMN2HCAR1
SCHEMBL9954589 0.82 ALOX12 (0.50) ALDH1A1ALOX12MDM2MAPTRAB9A
SCHEMBL9954930 0.78 POLB (0.58) ALDH1A1PDE7ALMNASMN1; SMN2PDE4A
SCHEMBL29832076 0.77 PDE7A (0.66) PDE7ALMNAHCAR1PDE4APDE4B
SCHEMBL290297 0.77 PDE7A (0.66) PDE7ALMNAHCAR1PDE4APDE4B
SCHEMBL290341 0.76 PDE7A (0.71) ALDH1A1PDE7ALMNASMN1; SMN2PDE4A
SCHEMBL5440785 0.76 ALDH1A1 (0.63) ALDH1A1PDE7AALOX12MDM2LMNA
SCHEMBL4207211 0.74 PDE7A (0.58) ALDH1A1PDE7ALMNAPTGS2KMT2A
SCHEMBL1101917 0.74 LMNA (0.72) ALDH1A1PDE7ALMNASMN1; SMN2PDE4A
SCHEMBL16204870 0.73 KMT2A (0.58) LMNASMN1; SMN2RAB9AKMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed