SCHEMBL9953779

SCHEMBL9953779

Nc1nc2ccc(Br)cc2c(=O)n1CCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 3/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.41
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.40
CLK1 P49759 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA2D1 P54289 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
SCHEMBL9960599 0.94 MAPK1 (0.49) ALOX15MAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL14247511 0.83 ALOX15 (0.53) ALOX15MAPK1ALDH1A1TSHRKMT2A
SCHEMBL31241091 0.80 CACNA2D1 (0.47) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL10288755 0.79 POLR1A (0.41) ALOX15MAPK1ALDH1A1HTTCACNA2D1
SCHEMBL14247207 0.77 ALOX15 (0.47) ALOX15MAPK1GAAALDH1A1TSHR
SCHEMBL10289136 0.77 CACNA2D1 (0.51) MEN1KMT2AHTTMAPTCACNA2D1
SCHEMBL9953325 0.77 HSD17B10 (0.49) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL10288782 0.77 CACNA2D1 (0.39) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL29723966 0.76 HSD17B10 (0.47) ALOX15MAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL28627498 0.76 HSD17B10 (0.47) ALOX15MAPK1GAAALDH1A1SMN1; SMN2

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