SCHEMBL27035277

SCHEMBL27035277

CCN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ S1PR1 P21453 2/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ S1PR3 Q99500 1/20 0.56
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL27034970 0.88 SIRT2 (0.61) SMN1; SMN2S1PR1SIRT2S1PR3NPC1
SCHEMBL27034957 0.87 S1PR1 (0.60) SMN1; SMN2S1PR1SIRT2S1PR3NPC1
SCHEMBL27034997 0.85 NPC1 (0.67) SMN1; SMN2SIRT2NPC1LMNAMAPT
SCHEMBL27035204 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL27035097 0.82 TSHR (0.57) SMN1; SMN2SIRT2NPC1LMNAMAPT
SCHEMBL27035133 0.82 MAPT (0.65) SMN1; SMN2SIRT2NPC1LMNAMAPT
SCHEMBL27034989 0.80 ALDH1A1 (0.68) SMN1; SMN2SIRT2NPC1LMNAMAPT
SCHEMBL16217982 0.77 S1PR1 (0.65) S1PR1SIRT2S1PR3LMNATHRB
SCHEMBL28869609 0.77 SIRT2 (0.74) S1PR1SIRT2S1PR3LMNATHRB
SCHEMBL2356588 0.77 S1PR1 (0.65) S1PR1SIRT2S1PR3LMNATHRB

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-4554567-A2 NOVEL 3,5-DISUBSTITUTED-1,2,4-OXADIAZOLE DERIVED COMPOUNDS AND INHIBITORY ACTIVITY OF THESE COMPOUNDS ON CARBONIC ANHYDRASE I AND II ENZYMES Anadolu Universitesi (TR) 2025-05-21 — — EP claimed
WO-2024019685-A2 NOVEL 3,5-DISUBSTITUTED-1,2,4-OXADIAZOLE DERIVED COMPOUNDS AND INHIBITORY ACTIVITY OF THESE COMPOUNDS ON CARBONIC ANHYDRASE I AND II ENZYMES ANADOLU UNIVERSITESI (TR) 2024-01-25 — — WO claimed
EP-4554567-A2 NOVEL 3,5-DISUBSTITUTED-1,2,4-OXADIAZOLE DERIVED COMPOUNDS AND INHIBITORY ACTIVITY OF THESE COMPOUNDS ON CARBONIC ANHYDRASE I AND II ENZYMES Anadolu Universitesi (TR) 2025-05-21 — — EP disclosed
WO-2024019685-A2 NOVEL 3,5-DISUBSTITUTED-1,2,4-OXADIAZOLE DERIVED COMPOUNDS AND INHIBITORY ACTIVITY OF THESE COMPOUNDS ON CARBONIC ANHYDRASE I AND II ENZYMES ANADOLU UNIVERSITESI (TR) 2024-01-25 — — WO disclosed
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