SCHEMBL6221292

SCHEMBL6221292

COc1ccc(CSc2nc(C)c(N)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ GAA P10253 4/20 0.54
▸ MAPT P10636 7/20 0.53
▸ HPGD P15428 4/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ CTSB P07858 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43

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
SCHEMBL8558794 0.83 MAPT (0.48) POLBGAAMAPTHPGDL3MBTL1
SCHEMBL98711 0.77 SLC29A1 (0.53) POLBGAAMAPTHPGDSMN1; SMN2
SCHEMBL10724090 0.77 MAPT (0.49) POLBGAAMAPTHPGDL3MBTL1
SCHEMBL10913886 0.76 KDM4E (0.50) POLBGAAMAPTHPGDL3MBTL1
SCHEMBL98665 0.74 RAB9A (0.50) POLBGAAMAPTHPGDL3MBTL1
SCHEMBL28070731 0.73 APP (0.60) GAAMAPTHPGDSMN1; SMN2KMT2A
SCHEMBL23486013 0.71 MEN1 (0.47) GAAMAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL5654152 0.70 MAPT (1.00) POLBGAAMAPTHPGDL3MBTL1
SCHEMBL1304880 0.70 MAPT (0.52) POLBGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL14426679 0.69 SMN1; SMN2 (0.92) GAAMAPTHPGDSMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 — — EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 — — EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 — — WO disclosed
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