SCHEMBL10696997

SCHEMBL10696997

CCCN1C(=O)C(C)(C)c2cc3nc(-c4cccs4)[nH]c3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 3/20 0.42
KLK7 P49862 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL10695357 0.93 AURKA (0.46) AURKAAURKBALDH1A1KDM4EHPGD
SCHEMBL10696033 0.82 PDE4A (0.54) AURKAAURKBALDH1A1KDM4EHPGD
SCHEMBL10699765 0.80 AURKA (0.48) AURKAAURKBALDH1A1KDM4EHPGD
SCHEMBL13341256 0.80 AURKA (0.49) AURKAAURKBALDH1A1KDM4EHPGD
SCHEMBL10695470 0.79 MAPT (0.49) AURKAAURKBALDH1A1KDM4EHPGD
SCHEMBL10694262 0.78 AURKB (0.48) AURKAAURKB
SCHEMBL4894195 0.78 AURKA (0.50) AURKAAURKBKDM4E
SCHEMBL13367949 0.77 AURKA (0.47) AURKAAURKBALDH1A1KDM4ETDP1
SCHEMBL4510782 0.77 AURKA (0.50) AURKAAURKBSCD
SCHEMBL10695723 0.77 LMNA (0.44) AURKAAURKBALDH1A1KDM4EHPGD

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