SCHEMBL10698809

SCHEMBL10698809

CN1C(=O)C(C)(C)c2cc3nc(-c4cccnc4)n(C)c3cc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
KIT P10721 7/20 0.43
NAMPT P43490 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
BACE1 P56817 4/20 0.39

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
SCHEMBL10699071 0.87 BRD4 (0.50) CYP11B1CYP11B2KITNAMPTATM
SCHEMBL10695172 0.86 MEN1 (0.47) CYP11B1CYP11B2ATMMEN1KMT2A
SCHEMBL10695690 0.81 MEN1 (0.47) CYP11B1CYP11B2ATMMEN1KMT2A
SCHEMBL10707934 0.81 CYP11B1 (0.47) CYP11B1CYP11B2KITNAMPTATM
SCHEMBL10698607 0.81 CYP11B1 (0.47) CYP11B1CYP11B2KITNAMPTATM
SCHEMBL10697084 0.81 MEN1 (0.40) MEN1KMT2A
SCHEMBL10696700 0.79 CA12 (0.50) MEN1KMT2AHTTBACE1
SCHEMBL10691668 0.77 MAPT (0.54) CYP11B1KITKMT2AHTT
SCHEMBL10694299 0.76 CYP11B1 (0.54) CYP11B1CYP11B2KITNAMPTATM
SCHEMBL16321891 0.76 CYP11B1 (0.52) CYP11B1CYP11B2BACE1

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