SCHEMBL10574279

SCHEMBL10574279

COc1ccc(-c2nc3ccc(C(C)(C)CNC=O)cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.55
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TRPV1 Q8NER1 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPBWR1 P48145 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50

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
SCHEMBL10574269 0.92 NPC1 (0.48) SLC2A1NPC1SMN1; SMN2RAB9ATRPV1
SCHEMBL10574680 0.88 NPBWR1 (0.59) NPC1SMN1; SMN2RAB9ATRPV1MEN1
SCHEMBL10576087 0.88 ALOX5 (0.56) TRPV1ALDH1A1HPGDCHEK2KDM4E
SCHEMBL10578710 0.87 MEN1 (0.49) NPC1SMN1; SMN2RAB9ATRPV1MEN1
SCHEMBL10577338 0.87 DGAT1 (0.57) SMN1; SMN2TRPV1MAPTNPBWR1TP53
SCHEMBL10578004 0.87 NPBWR1 (0.58) TRPV1NPBWR1
SCHEMBL10578455 0.87 NPBWR1 (0.56) NPC1SMN1; SMN2RAB9ATRPV1MEN1
SCHEMBL10574094 0.86 DGAT1 (0.44) SLC2A1TRPV1MAPTNPBWR1ALDH1A1
SCHEMBL10574710 0.86 NPC1 (0.51) NPC1SMN1; SMN2RAB9ATRPV1GAA
SCHEMBL10573294 0.85 TCF4 (0.53) SMN1; SMN2TRPV1MAPTNPBWR1TP53

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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
Send feedback