SCHEMBL10698445

SCHEMBL10698445

COc1ccc(C2Nc3cc4c(cc3N2C)N(CCO)C(=O)C4C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
CACNA1S Q13698 3/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB1 P08183 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10700950 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10698690 0.89 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10699480 0.88 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL10699606 0.85 TNKS2 (0.43) MEN1KMT2AALDH1A1KDM4ECACNA1S
SCHEMBL10697977 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10699909 0.80 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10697525 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10698933 0.80 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10700985 0.79 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10699882 0.78 KDM4E (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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