SCHEMBL10695087

SCHEMBL10695087

CCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(OC)cc1)N3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
SCN9A Q15858 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL10701198 0.90 TNKS2 (0.44) TNKS2MEN1KMT2AGAAALDH1A1
SCHEMBL10700273 0.88 TNKS2 (0.43) TNKS2MEN1KMT2AGAAALDH1A1
SCHEMBL10700232 0.88 TNKS2 (0.43) TNKS2MEN1KMT2AGAAALDH1A1
SCHEMBL10696397 0.87 ALDH1A1 (0.40) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL10693698 0.83 KDM4E (0.40) ALDH1A1KDM4ESCN9A
SCHEMBL10696091 0.83 TDP1 (0.54) TNKS2MEN1KMT2AALDH1A1MAPT
SCHEMBL10695278 0.83 TNKS2 (0.48) TNKS2MEN1KMT2AGAAALDH1A1
SCHEMBL10697356 0.82 MEN1 (0.40) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL10695289 0.81 SCN9A (0.34) MEN1KMT2AGAAMAPTSCN9A
SCHEMBL10696042 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1PDE4APDE4B

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