SCHEMBL10698622

SCHEMBL10698622

COCCN1C(=O)C(C)c2cc3nc(-c4ccc(O)cc4)[nH]c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
GUSB P08236 1/20 0.39
TOP1 P11387 2/20 0.39
TOP2A P11388 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPBWR1 P48145 1/20 0.38
MTOR P42345 1/20 0.38
RHEB Q15382 1/20 0.37
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CHEK1 O14757 1/20 0.36
PRKD3 O94806 1/20 0.36
PAK4 O96013 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36

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) GUSBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10700668 0.89 PDE4A (0.41) SCDGUSBALDH1A1HPGDSMN1; SMN2
SCHEMBL10697738 0.89 SCD (0.42) SCDGUSBTOP1TOP2AALDH1A1
SCHEMBL10698629 0.87 SCD (0.43) SCDGUSBTOP1TOP2AALDH1A1
SCHEMBL10698911 0.84 ALDH1A1 (0.47) GUSBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10696182 0.83 SCD (0.46) SCDGUSBTOP1TOP2AALDH1A1
SCHEMBL10534165 0.83 GUSB (0.40) SCDGUSBTOP1TOP2AALDH1A1
SCHEMBL10699596 0.82 SLC2A1 (0.46) GUSBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10699247 0.81 CBFB (0.47) SMN1; SMN2KDM4E
SCHEMBL10697404 0.79 TOP1 (0.44) SCDGUSBTOP1TOP2AALDH1A1

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