SCHEMBL9508080

SCHEMBL9508080

O=C(NO)NCCc1ccc2cc(OCc3nc4ccccc4s3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.54
EPHX2 P34913 12/20 0.54
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.48
ALOX5AP P20292 1/20 0.47

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
SCHEMBL9503952 0.80 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9508076 0.77 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9588662 0.77 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9503948 0.77 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9584906 0.76 NPC1 (0.53) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9427796 0.74 NPC1 (0.60) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL10682657 0.73 NPC1 (0.63) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1746753 0.73 SMN1; SMN2 (0.67) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1745498 0.72 MAPT (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8136532 0.72 NPC1 (0.73) ALOX5EPHX2NPC1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed