SCHEMBL9706321

SCHEMBL9706321

CC(C(=O)O)c1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.79
ADRA1A P35348 1/20 0.79
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 4/20 0.57
POLB P06746 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
HPGD P15428 1/20 0.57
SENP8 Q96LD8 1/20 0.57
MAPT P10636 6/20 0.56
TP53 P04637 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.53

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
Benoxaprofen SCHEMBL29364205 0.88 MAOA (1.00) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Benoxaprofen SCHEMBL24413 0.88 MAOA (1.00) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Flunoxaprofen SCHEMBL29612240 0.88 MAOA (0.78) MAOAADRA1ASMN1; SMN2NPC1RAB9A
SCHEMBL5476419 0.88 MAOA (0.78) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Flunoxaprofen SCHEMBL25196 0.88 MAOA (0.78) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Benoxaprofen SCHEMBL24414 0.88 MAOA (1.00) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Flunoxaprofen SCHEMBL25195 0.88 MAOA (0.78) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Benoxaprofen SCHEMBL11246423 0.87 MAOA (0.98) MAOAADRA1ASMN1; SMN2NPC1RAB9A
Benoxaprofen SCHEMBL28038058 0.87 MAOA (0.98) MAOAADRA1ASMN1; SMN2NPC1RAB9A
SCHEMBL11695483 0.85 MAOA (0.65) MAOAADRA1ASMN1; SMN2NPC1RAB9A

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-0485173-A2 Esters and amides of substituted fused ring phenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed