SCHEMBL10696091

SCHEMBL10696091

COc1ccc(C2Nc3cc4c(cc3N2)C(C)(C)C(=O)N4Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
ADAMTS5 Q9UNA0 3/20 0.44
MMP12 P39900 1/20 0.44
ELANE P08246 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PIM1 P11309 2/20 0.43
EP300 Q09472 1/20 0.42
PBRM1 Q86U86 1/20 0.42
SCN9A Q15858 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL10694215 0.87 ELANE (0.46) TDP1ADAMTS5MMP12ELANEALDH1A1
SCHEMBL10701198 0.86 TNKS2 (0.44) TDP1MEN1KMT2ATNKS2ALDH1A1
SCHEMBL10700232 0.84 TNKS2 (0.43) TDP1MEN1KMT2ATNKS2ALDH1A1
SCHEMBL10700273 0.84 TNKS2 (0.43) TDP1MEN1KMT2ATNKS2ALDH1A1
SCHEMBL10695087 0.83 TNKS2 (0.44) TDP1MEN1KMT2ATNKS2ALDH1A1
SCHEMBL10695278 0.81 TNKS2 (0.48) MEN1KMT2ATNKS2ADAMTS5ALDH1A1
SCHEMBL10696420 0.80 ELANE (0.43) TDP1MEN1KMT2AELANEALDH1A1
SCHEMBL10696048 0.79 ELANE (0.44) TDP1ADAMTS5ELANEALDH1A1CYP3A4
SCHEMBL17377477 0.75 SCN9A (0.63) TDP1ADAMTS5MMP12ELANEMAPT
SCHEMBL13341352 0.74 TDP1 (0.52) TDP1MEN1KMT2AALDH1A1MAPT

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