SCHEMBL26017041

SCHEMBL26017041

COc1cc(/C(C=N)=C/N)cc(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TUBB1 Q9H4B7 4/20 0.32
▸ MAOB P27338 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ KRAS P01116 1/20 0.30

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
SCHEMBL26414498 0.76 TAS1R3 (0.38) LMNAHTTRAB9AMEN1KMT2A
SCHEMBL26017064 0.76 — —
SCHEMBL18031512 0.70 HTT (0.61) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL14896680 0.69 HDAC1 (0.46) ALDH1A1HDAC1HDAC6
SCHEMBL17184635 0.69 LMNA (0.50) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL25721432 0.67 PRSS1 (0.57) RAB9AMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22241297 0.66 ACHE (0.44) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL14951058 0.65 CYP3A4 (0.52) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL524923 0.65 MAPT (0.40) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL18685203 0.65 CA12 (0.53) LMNAMAPK1HTTRAB9AALDH1A1

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-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 — — EP disclosed
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