SCHEMBL6918010

SCHEMBL6918010

Cc1cc2nccn2cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAOB P27338 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL31716869 0.87 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24087313 0.85 NNMT (0.41) MAOBL3MBTL1DYRK1AFASNTDP1
SCHEMBL2013520 0.83 TRIM33 (0.38) MAOBKDM4EALDH1A1FASNKDR
SCHEMBL1796361 0.83 MAOB (0.40) MAOBL3MBTL1DYRK1AFASNMCHR1
SCHEMBL29229563 0.80 MAOB (0.43) APOBEC3AAPOBEC3GMAOBKDM4EALDH1A1
SCHEMBL25149802 0.80 DYRK1A (0.36) APOBEC3AAPOBEC3GMAOBKDM4EL3MBTL1
SCHEMBL29229549 0.80 POLQ (0.41) KDM4EALDH1A1PKMMYCNAMPT
SCHEMBL27305869 0.78 KDM4C (0.41) APOBEC3AAPOBEC3GMAOBKDM4EALDH1A1
SCHEMBL12653263 0.76 DYRK1A (0.37) MAOBALDH1A1GAAPKML3MBTL1
SCHEMBL12618940 0.76 DYRK1A (0.37) MAOBALDH1A1GAAPKML3MBTL1

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-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed