SCHEMBL9503948

SCHEMBL9503948

CC(C)(NC(=O)NO)c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.53
EPHX2 P34913 12/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
ALOX5AP P20292 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL9507067 0.83 NPC1 (0.56) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9507002 0.81 ALOX5AP (0.56) ALOX5ALOX5AP
SCHEMBL9508076 0.78 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9588662 0.78 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9508080 0.77 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9503952 0.77 ALOX5 (0.52) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL10682657 0.73 NPC1 (0.63) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9585158 0.72 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7607544 0.72 MAPT (0.60) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9590136 0.72 ALOX5 (0.57) 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 4 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
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed