SCHEMBL10698669

SCHEMBL10698669

COCCN1C(=O)C(C)(C)c2cc3nc(-c4ccncc4)n(C)c3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
AAK1 Q2M2I8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
GAA P10253 1/20 0.34
KIT P10721 1/20 0.33
NFATC1 O95644 1/20 0.33

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
SCHEMBL10700226 0.97 MEN1 (0.41) BRD4MEN1KMT2AAAK1ALDH1A1
SCHEMBL10699602 0.89 KDM4E (0.45) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10698666 0.88 MEN1 (0.41) BRD4MEN1KMT2AAAK1ALDH1A1
SCHEMBL10699166 0.87 BRD4 (0.51) BRD4MEN1KMT2AAAK1ALDH1A1
SCHEMBL10697337 0.86 BRD4 (0.37) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10698607 0.85 CYP11B1 (0.47) BRD4MEN1KMT2AALDH1A1HPGD
SCHEMBL10695172 0.82 MEN1 (0.47) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10695690 0.80 MEN1 (0.47) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10697520 0.79 HDAC1 (0.42) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL10698025 0.79 PDE4A (0.51) ALDH1A1KDM4EHSD17B10SMN1; SMN2POLB

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