SCHEMBL20360982

SCHEMBL20360982

Clc1ccnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
KCNA3 P22001 2/20 0.44
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 4/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TRPM2 O94759 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
ERBB2 P04626 1/20 0.39
TP53 P04637 1/20 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
SCHEMBL29008854 0.80 KCNN4 (0.40) KCNN4KCNA3CYP19A1TSHRCYP3A4
SCHEMBL6923638 0.76 POLB (0.47) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL15528498 0.76 CYP11B1 (0.40) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL20361855 0.76 CYP11B1 (0.40) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL13189778 0.76 CYP11B1 (0.40) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL11523600 0.73 CYP11B1 (0.38) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL10236348 0.73 CYP11B1 (0.38) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL28999271 0.73 CYP11B1 (0.38) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL5361990 0.72 CYP11B1 (0.37) KCNN4KCNA3CYP11B1CYP11B2CYP19A1
SCHEMBL27815929 0.72 GRN (0.37) KCNN4KCNA3CYP11B1CYP11B2LMNA

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-2018127096-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-07-12 WO disclosed