SCHEMBL9955393

SCHEMBL9955393

Clc1ncc(Br)cc1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
PTPRC P08575 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
SCHEMBL26917296 0.81 POLB (0.50) MAPTPOLBHSD17B10MEN1KMT2A
SCHEMBL29858085 0.81 POLB (0.50) MAPTPOLBHSD17B10MEN1KMT2A
SCHEMBL31429909 0.81 GAA (0.43) GAAMAPTPKMPOLBHSD17B10
SCHEMBL31238875 0.78 MAOB (0.43) MAPTPOLBHSD17B10MEN1KMT2A
SCHEMBL26130944 0.78 MAOB (0.43) MAPTPOLBHSD17B10MEN1KMT2A
SCHEMBL20680345 0.78 ALDH1A1 (0.41) GAAMAPTPKMPOLBHSD17B10
SCHEMBL16007066 0.78 POLB (0.39) GAAMAPTPKMPOLBHSD17B10
SCHEMBL21761104 0.78 DAO (0.40) GAAMAPTPKMPOLBHSD17B10
SCHEMBL17927636 0.77 HSD17B10 (0.41) GAAMAPTPKMPOLBHSD17B10
SCHEMBL29858070 0.76 MEN1 (0.46) MAPTPKMPOLBHSD17B10MEN1

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