SCHEMBL6859142

SCHEMBL6859142

CCc1ccc(C(=O)O)c(N)c1N.Cc1ccc(C(=O)O)c(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44
GABRQ Q9UN88 5/20 0.44
KDM4E B2RXH2 4/20 0.41
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 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
SCHEMBL2925692 0.91 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2930434 0.87 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7101043 0.83 POLB (0.42) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28250964 0.81 POLB (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10988751 0.80 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5432825 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10983387 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7538102 0.77 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5169474 0.77 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
Propylamine SCHEMBL10519946 0.75 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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
US-6805718-B2 USING AROMATIC AMINE, NAPHTHOL OR AMINONAPHTHALENE AND ENZYME NOVOZYMES A/S (DK) 2004-10-19 US disclosed