SCHEMBL10695734

SCHEMBL10695734

COc1ccc(C2Nc3cc4c(cc3N2)N(C)C(=O)C4C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.48
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PBRM1 Q86U86 1/20 0.43
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL10696186 0.84 KMT2A (0.43) TNKS2KDM4EALDH1A1MAPTGAA
SCHEMBL10694150 0.84 KDM4E (0.43) TNKS2KDM4EALDH1A1MAPTGAA
SCHEMBL10699606 0.83 TNKS2 (0.43) TNKS2KDM4EALDH1A1MAPTGAA
SCHEMBL10700358 0.83 TNKS2 (0.43) TNKS2KDM4EALDH1A1MAPTGAA
SCHEMBL8532730 0.76 BRD4 (0.52) ALDH1A1MAPTGAABRD4SMN1; SMN2
SCHEMBL8669199 0.76 BRD4 (0.56) ALDH1A1MAPTBRD4
SCHEMBL10695479 0.75 KDM4E (0.45) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL10695278 0.74 TNKS2 (0.48) TNKS2KDM4EALDH1A1MAPTGAA
SCHEMBL10695097 0.72 PARP1 (0.40) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL10698630 0.72 KMT2A (0.37) KDM4EALDH1A1MAPTGAAKMT2A

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