SCHEMBL8360541

SCHEMBL8360541

Bc1ccc(C2C(=O)N(Cc3ccccc3)Cc3cncn32)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.75
CYP11B1 P15538 3/20 0.75
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DHPS P49366 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
PGGT1B P53609 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3572398 0.92 CYP11B2 (0.79) CYP11B2CYP11B1CYP3A4TSHRHPGD
Hydrochloric Acid SCHEMBL3572437 0.91 CYP11B2 (0.78) CYP11B2CYP11B1CYP3A4TSHRHPGD
SCHEMBL3569027 0.89 CYP11B1 (0.75) CYP11B2CYP11B1CYP3A4TSHRHPGD
Hydrochloric Acid SCHEMBL5229773 0.88 CYP11B1 (0.74) CYP11B2CYP11B1CYP3A4TSHRHPGD
SCHEMBL5769986 0.87 CYP11B1 (0.72) CYP11B2CYP11B1CYP3A4ALDH1A1
SCHEMBL3574602 0.86 CYP11B2 (1.00) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3571246 0.83 CYP11B2 (0.67) CYP11B2CYP11B1CYP3A4FNTAPGGT1B
SCHEMBL3574211 0.82 CYP11B1 (0.66) CYP11B2CYP11B1CYP3A4ALDH1A1MEN1
SCHEMBL3578304 0.82 CYP11B2 (0.66) CYP11B2CYP11B1CYP3A4TSHRHPGD
Hydrochloric Acid SCHEMBL3574374 0.81 CYP11B1 (0.65) CYP11B2CYP11B1CYP3A4ALDH1A1MEN1

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
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed