SCHEMBL8094617

SCHEMBL8094617

Bc1sc(-c2cnco2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
PTK2 Q05397 1/20 0.35
PRF1 P14222 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAP4K4 O95819 1/20 0.33
IMPDH2 P12268 4/20 0.33
IMPDH1 P20839 2/20 0.33
KEAP1 Q14145 1/20 0.31
PTGDR Q13258 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL13028219 0.79 GAA (0.41) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL2892914 0.72 GAA (0.41) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL5033855 0.71 LMNA (0.44) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL10053578 0.71 LMNA (0.50) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL5027379 0.69 LMNA (0.42) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL15382509 0.69 PRF1 (0.43) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL16202087 0.68 LMNA (0.47) LMNAPKMPTK2CYP11B1CYP11B2
SCHEMBL5033854 0.67 MYC (0.46) LMNAPKMPRF1MAP4K4IMPDH2
SCHEMBL13267180 0.64 LMNA (0.43) LMNAPKMPTK2PRF1CYP11B1
SCHEMBL2889950 0.64 IMPDH2 (0.35) LMNAPKMPRF1MAP4K4IMPDH2

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-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed