SCHEMBL5769986

SCHEMBL5769986

O=C(O)c1ccc(C2C(=O)N(Cc3ccccc3)Cc3cncn32)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.72
CYP11B2 P19099 2/20 0.72
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.39
HDAC6 Q9UBN7 6/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
FPR1 P21462 1/20 0.36

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
SCHEMBL3572398 0.90 CYP11B2 (0.79) CYP11B1CYP11B2CYP3A4ALDH1A1KDM4E
SCHEMBL3574211 0.89 CYP11B1 (0.66) CYP11B1CYP11B2CYP3A4ALDH1A1HDAC6
Hydrochloric Acid SCHEMBL3572437 0.89 CYP11B2 (0.78) CYP11B1CYP11B2CYP3A4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3574374 0.88 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4ALDH1A1HDAC6
SCHEMBL3569027 0.87 CYP11B1 (0.75) CYP11B1CYP11B2CYP3A4
SCHEMBL8360541 0.87 CYP11B2 (0.75) CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL5774663 0.86 CYP11B2 (0.62) CYP11B1CYP11B2CYP3A4HDAC6HDAC1
Hydrochloric Acid SCHEMBL5229773 0.86 CYP11B1 (0.74) CYP11B1CYP11B2CYP3A4
SCHEMBL3574602 0.84 CYP11B2 (1.00) CYP11B1CYP11B2
SCHEMBL3571246 0.81 CYP11B2 (0.67) CYP11B1CYP11B2CYP3A4

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-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP claimed