SCHEMBL10928740

SCHEMBL10928740

Cc1ccc(C(=O)c2noc(CC#N)n2)cc1.Cc1ccc(C(=O)c2noc(CC(N)=O)n2)cc1.N#CCc1nc(C(=O)c2ccc(F)cc2)no1.O=C(O)Cc1nc(C(=O)c2ccc(Cl)cc2)no1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ P2RY14 Q15391 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10926631 0.88 LMNA (0.39) LMNAALDH1A1SMN1; SMN2TDP1P2RY14
SCHEMBL10927504 0.80 SMN1; SMN2 (0.40) LMNAALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL10925514 0.80 TSHR (0.41) LMNAALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL10924333 0.80 TSHR (0.40) LMNAALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL10926847 0.78 MAPT (0.43) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL10923821 0.78 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10922342 0.78 LTA4H (0.39) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL10925925 0.77 MAPT (0.41) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10925607 0.77 CXCL8 (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10922810 0.77 TSHR (0.48) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT

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-0189080-A2 (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-30 — — EP disclosed
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