SCHEMBL28388485

SCHEMBL28388485

N#Cc1cc(S)c(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 3/20 0.38
ANPEP P15144 1/20 0.37
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
PIM1 P11309 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL28063135 0.81 MCL1 (0.46) MCL1CA1CA2NCOA3KDM4E
SCHEMBL28384020 0.79 IMPDH2 (0.51) MCL1CA1CA2KDM4ESLC22A12
SCHEMBL13170778 0.78 CA1 (0.55) MCL1CA1CA2KDM4EALOX15
SCHEMBL19435572 0.76 SLC22A12 (0.51) MCL1CA1CA2KDM4EANPEP
SCHEMBL29110490 0.76 MCL1 (0.49) MCL1CA1CA2KDM4EALOX15
SCHEMBL29039496 0.75 CA1 (0.50) MCL1CA1CA2KDM4EALOX15
SCHEMBL20561064 0.74 MCL1 (0.58) MCL1CA1CA2KDM4EALOX15
SCHEMBL2353695 0.74 CA1 (0.53) MCL1CA1CA2KDM4EALOX15
SCHEMBL31236642 0.74 MCL1 (0.58) MCL1CA1CA2KDM4EALOX15
SCHEMBL29489130 0.73 MCL1 (0.47) MCL1CA1CA2NCOA3KDM4E

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
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 CN disclosed