SCHEMBL10699596

SCHEMBL10699596

COc1ccc(-c2nc3cc4c(cc3[nH]2)N(CCO)C(=O)C4C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
ABCB11 O95342 1/20 0.44
MAOA P21397 1/20 0.44
ADORA2A P29274 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CHEK2 O96017 7/20 0.44
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 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
SCHEMBL10700351 0.90 SLC2A1 (0.46) SLC2A1ABCB11MAOAADORA2APDE3B
SCHEMBL10697738 0.89 SCD (0.42) ADORA2ACHEK2SMN1; SMN2NPBWR1ALDH1A1
SCHEMBL10698129 0.87 KDM4E (0.43) PDE3BPDE3ACHEK2NPC1SMN1; SMN2
SCHEMBL10695729 0.86 ABCB11 (0.48) SLC2A1ABCB11MAOAADORA2APDE3B
SCHEMBL10698622 0.82 SCD (0.40) ADORA2ACHEK2SMN1; SMN2NPBWR1ALDH1A1
SCHEMBL10532265 0.82 SLC2A1 (0.43) SLC2A1ABCB11MAOAADORA2APDE3B
SCHEMBL10701672 0.82 MAPT (0.48) NPC1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL10700668 0.79 PDE4A (0.41) PDE3BPDE3ANPC1SMN1; SMN2RAB9A
SCHEMBL10698629 0.79 SCD (0.43) ADORA2ACHEK2SMN1; SMN2NPBWR1ALDH1A1
SCHEMBL10700220 0.78 SLC2A1 (0.46) SLC2A1ABCB11MAOAADORA2APDE3B

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed