SCHEMBL10578169

SCHEMBL10578169

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.51
▸ CHEK2 O96017 6/20 0.51
▸ TRPV1 Q8NER1 2/20 0.50
▸ KDR P35968 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPBWR1 P48145 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.47

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
SCHEMBL10578159 0.92 KDM4E (0.47) SLC2A1CHEK2KDRNPC1SMN1; SMN2
SCHEMBL10695379 0.87 KDM4E (0.51) CHEK2TRPV1NPC1SMN1; SMN2RAB9A
SCHEMBL10572946 0.84 SLC2A1 (0.51) SLC2A1CHEK2TRPV1KDRNPC1
SCHEMBL10574279 0.82 SLC2A1 (0.55) SLC2A1CHEK2TRPV1KDRNPC1
SCHEMBL10575156 0.81 SLC2A1 (0.54) SLC2A1CHEK2TRPV1KDRNPC1
SCHEMBL10574975 0.80 SMN1; SMN2 (0.46) SLC2A1CHEK2KDRNPC1SMN1; SMN2
SCHEMBL10578112 0.79 TRPV1 (0.53) SLC2A1CHEK2TRPV1KDRNPC1
SCHEMBL10573910 0.79 SLC2A1 (0.62) SLC2A1CHEK2TRPV1NPC1SMN1; SMN2
SCHEMBL10574957 0.78 CHEK2 (0.65) SLC2A1CHEK2TRPV1NPC1SMN1; SMN2
SCHEMBL10576976 0.78 SLC2A1 (0.50) SLC2A1CHEK2TRPV1NPC1SMN1; SMN2

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