SCHEMBL10465634

SCHEMBL10465634

Cc1nc(C(=O)O)c(C(=O)O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL9315436 0.83 SMN1; SMN2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8658096 0.82 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2807041 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9077344 0.78 SORT1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31414552 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8847251 0.76 MEN1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9317179 0.76 MEN1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8468390 0.76 KDM4C (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL258457 0.75 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11655924 0.73 ALDH1A1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4891428-A PRE-AND POSTEMERGENCE SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-02 US disclosed
US-4776876-A Imidazolinyl derivatives having herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
EP-0216360-A2 Imidazolinyl derivatives, process for their preparation and agents with herbicidal activity containing them SCHERING AKTIENGESELLSCHAFT (DE) 1987-04-01 EP disclosed