SCHEMBL9954470

SCHEMBL9954470

Nc1nc2ccc(Br)cc2c(=O)n1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.46
MAPT P10636 2/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PDE7A Q13946 1/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
PTGS2 P35354 1/20 0.39
AVPR1A P37288 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL9953980 0.89 ATM (0.51) HCAR1MAPTATMMEN1KMT2A
SCHEMBL10288659 0.85 POLB (0.53) HCAR1MAPTATMMEN1KMT2A
SCHEMBL9954589 0.84 ALOX12 (0.50) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL9954343 0.82 MAPT (0.49) HCAR1MAPTATMMEN1KMT2A
SCHEMBL9954094 0.80 HCAR1 (0.51) HCAR1MAPTATMPTGS2PI4KA
SCHEMBL9954631 0.77 KMT2A (0.46) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL9954958 0.77 ALDH1A1 (0.47) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL10289024 0.77 SMN1; SMN2 (0.55) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL9955586 0.74 HPD (0.44) HCAR1MEN1KMT2ASMN1; SMN2PI4KA
SCHEMBL9955387 0.74 TDO2 (0.50) MAPTMEN1KMT2AALDH1A1HTT

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