SCHEMBL10697218

SCHEMBL10697218

CCN1C(=O)C(C)(C)c2cc3nc(-c4ccc(OC)cc4)n(C)c3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.38
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
CASP3 P42574 1/20 0.36
TGM3 Q08188 1/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL10700863 0.96 BRD4 (0.45) BRD4LMNATSHRNPSR1AURKA
SCHEMBL10699602 0.90 KDM4E (0.45) BRD4LMNATSHRNPSR1KDM4E
SCHEMBL10697520 0.90 HDAC1 (0.42) BRD4LMNATSHRNPSR1KDM4E
SCHEMBL10697806 0.87 BRD4 (0.50) BRD4AURKAAURKBALDH1A1RAB9A
SCHEMBL10699166 0.86 BRD4 (0.51) BRD4LMNAAURKAAURKBKDM4E
SCHEMBL10700455 0.86 HDAC1 (0.42) BRD4LMNATSHRNPSR1KDM4E
SCHEMBL10698656 0.83 BRD4 (0.46) BRD4AURKAAURKBALDH1A1RAB9A
SCHEMBL10700878 0.83 POLB (0.40) BRD4LMNATSHRNPSR1KDM4E
SCHEMBL10699071 0.80 BRD4 (0.50) BRD4AURKAAURKBMAPTMEN1
SCHEMBL10698669 0.78 BRD4 (0.40) BRD4LMNAAURKAAURKBKDM4E

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