SCHEMBL7697331

SCHEMBL7697331

Nc1cc(O)nc(O)n1.O=C(O)c1nccc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 18/20 0.42
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33

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
SCHEMBL7697488 0.80 KMO (0.53) KMO
SCHEMBL31413728 0.80 KMO (0.53) KMO
SCHEMBL7697335 0.76 GAA (0.32)
SCHEMBL94409 0.71
SCHEMBL5119246 0.69 KMO (0.49) KMOGABRPGABRDGABRA1GABRB1
SCHEMBL30355316 0.69 NOS3 (0.32)
SCHEMBL163540 0.68 KMO (0.50) KMOKDM6BKDM4AKDM5CKDM5B
SCHEMBL27597372 0.67 HSP90AA1 (0.48)
Ammonia Solution, Strong SCHEMBL31345935 0.66 KMO (0.49) KMOKDM6BKDM4AKDM5CKDM5B
SCHEMBL24087665 0.65 KMO (0.37) KMO

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-6337368-B1 WATER INSOLUBLE CARRIERS WITH P-NITROBENZOIC ACID, AROMATIC AMINES, AMIDES, SULFONAMIDES AND HYDRAZIDES KANEKA CORPORATION (JP) 2002-01-08 US disclosed