SCHEMBL5774663

SCHEMBL5774663

Cc1cc(C2C(=O)N(Cc3ccccc3)Cc3cncn32)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.62
CYP11B1 P15538 2/20 0.62
CYP3A4 P08684 1/20 0.39
HDAC6 Q9UBN7 4/20 0.35
NOTUM Q6P988 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
CYP19A1 P11511 2/20 0.33
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 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
SCHEMBL5769986 0.86 CYP11B1 (0.72) CYP11B2CYP11B1CYP3A4HDAC6HDAC1
SCHEMBL3572398 0.82 CYP11B2 (0.79) CYP11B2CYP11B1CYP3A4TP53
SCHEMBL3574211 0.82 CYP11B1 (0.66) CYP11B2CYP11B1CYP3A4HDAC6TP53
Hydrochloric Acid SCHEMBL3572437 0.81 CYP11B2 (0.78) CYP11B2CYP11B1CYP3A4TP53
Hydrochloric Acid SCHEMBL3574374 0.81 CYP11B1 (0.65) CYP11B2CYP11B1CYP3A4HDAC6TP53
SCHEMBL3578304 0.80 CYP11B2 (0.66) CYP11B2CYP11B1CYP3A4MAPTCYP19A1
SCHEMBL3569027 0.79 CYP11B1 (0.75) CYP11B2CYP11B1CYP3A4CYP19A1KMT2A
SCHEMBL8360541 0.79 CYP11B2 (0.75) CYP11B2CYP11B1CYP3A4KMT2A
SCHEMBL3577749 0.79 CYP11B1 (0.65) CYP11B2CYP11B1CYP3A4TP53MAPT
Hydrochloric Acid SCHEMBL5229773 0.79 CYP11B1 (0.74) CYP11B2CYP11B1CYP3A4CYP19A1KMT2A

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