SCHEMBL5206299

SCHEMBL5206299

CCCCCc1ncncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
NFKB1 P19838 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20337746 0.90 GABRP (0.41) RARBGABRPGABRDGABRA1GABRB1
SCHEMBL24079171 0.87 RARB (0.39) RARBGABRPGABRDGABRA1GABRB1
SCHEMBL14831507 0.83 HCAR2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8328355 0.82 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19840685 0.81 GABRP (0.40) RARBGABRPGABRDGABRA1GABRB1
SCHEMBL25171290 0.77 HCAR2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7386044 0.75 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18400870 0.75 HSP90AA1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24908448 0.74 GABRP (0.46) RARBGABRPGABRDGABRA1GABRB1
SCHEMBL9500202 0.74 GABRP (0.50) RARBGABRPGABRDGABRA1GABRB1

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
EP-1180520-B1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2007-06-20 EP disclosed