SCHEMBL4374200

SCHEMBL4374200

CCCC[Sn](CCCC)(CCCC)c1c(NCCc2ccccc2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
CTDSP1 Q9GZU7 1/20 0.51
POLB P06746 3/20 0.48
SIGMAR1 Q99720 1/20 0.44
TAAR1 Q96RJ0 3/20 0.40
CXCR2 P25025 1/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 2/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL9468178 0.76 KDM4E (0.33) GAAALDH1A1KDM4E
SCHEMBL4372931 0.73 MAPKAPK2 (0.45) POLBCXCR2MAPK1SMN1; SMN2HTT
SCHEMBL19956899 0.71 MEN1 (0.63) MEN1KMT2ACTDSP1POLBTAAR1
SCHEMBL9467372 0.69 LMNA (0.40) MEN1KMT2APOLBHPGDPKM
SCHEMBL20927269 0.68 MEN1 (0.63) MEN1KMT2ACTDSP1POLBTAAR1
SCHEMBL16144154 0.68 KMT2A (0.50) MEN1KMT2ACTDSP1POLBTAAR1
SCHEMBL16264714 0.67 MEN1 (0.56) MEN1KMT2ACTDSP1POLBTAAR1
SCHEMBL11790466 0.64 SIGMAR1 (0.64) SIGMAR1HPGDL3MBTL1HDAC3ALDH1A1
SCHEMBL11799937 0.64 SIGMAR1 (0.64) SIGMAR1HPGDL3MBTL1HDAC3ALDH1A1
SCHEMBL11802956 0.64 SIGMAR1 (0.64) SIGMAR1HPGDL3MBTL1HDAC3ALDH1A1

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-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed