SCHEMBL10700489

SCHEMBL10700489

COc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CNC4=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT1 P42224 1/20 0.49
HTT P42858 1/20 0.49
NPBWR1 P48145 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL9385702 0.86 PDE4A (0.59) NPC1RAB9AMAPTGAAALDH1A1
SCHEMBL10698021 0.84 NPBWR1 (0.47) NPBWR1PDE3BPDE3ACHEK2PDE4A
SCHEMBL9704428 0.82 PDE3B (0.54) NPC1SMN1; SMN2RAB9AMEN1LMNA
SCHEMBL9705366 0.80 TP53 (0.42) MAPTNPBWR1TP53POLBPDE3B
SCHEMBL9704386 0.80 PDE2A (0.39) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL10697321 0.79 AMY1A (0.45) NPC1RAB9AMAPTNPBWR1TP53
SCHEMBL9703298 0.78 PDE5A (0.38) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL9383861 0.77 CDK4 (0.41) NPBWR1PDE3BPDE3A
SCHEMBL9703362 0.77 PDE5A (0.37) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL9379025 0.77 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMEN1LMNA

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-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed