SCHEMBL11088372

SCHEMBL11088372

Nc1ccc2[nH]c(=O)n3nc(C(=O)O)nc3c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
HAVCR2 Q8TDQ0 3/20 0.47
NGFR P08138 1/20 0.47
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 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
SCHEMBL11083967 0.86 HAVCR2 (0.48) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11083501 0.85 HAVCR2 (0.67) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11081150 0.85 HAVCR2 (0.53) HAVCR2ADORA3GABRA1GABRG2GABRB3
SCHEMBL11082526 0.81 HAVCR2 (0.66) HAVCR2ADORA3
SCHEMBL11089647 0.81 HAVCR2 (0.47) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11085566 0.81 JAK2 (0.47) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11170077 0.81 JAK2 (0.45) CA12CA9HAVCR2NGFRADORA3
SCHEMBL11084193 0.81 GABRP (0.64) HAVCR2ADORA3GABRPGABRDGABRA1
SCHEMBL11089699 0.80 ERCC1 (0.55) HAVCR2ADORA3
SCHEMBL11089513 0.80 JAK2 (0.46) HAVCR2GRIA1GRIA2GRIA3GRIA4

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-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed