SCHEMBL23894440

SCHEMBL23894440

CCCCc1nc(-c2cccc(CO)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ S1PR1 P21453 1/20 0.53
▸ S1PR3 Q99500 1/20 0.53
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ SPHK2 Q9NRA0 5/20 0.47
▸ SPHK1 Q9NYA1 5/20 0.47
▸ PTPN1 P18031 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
SCHEMBL31346653 0.92 RAB9A (0.56) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL31346686 0.86 S1PR1 (0.57) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL21974272 0.82 RAB9A (0.69) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL13167065 0.81 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL59281 0.81 ALDH1A1 (0.56) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL26887342 0.80 SPHK1 (0.57) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL13167064 0.80 ALDH1A1 (0.52) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL16572030 0.80 PPARA (0.52) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL2094536 0.80 PPARA (0.55) L3MBTL1NPC1RAB9AMAPK1TDP1
SCHEMBL6334541 0.79 KMT2A (0.55) L3MBTL1NPC1RAB9AMAPK1TDP1

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-4101846-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2022-12-14 — — EP disclosed
EP-3889142-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2021-10-06 — — EP disclosed
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