SCHEMBL7986652

SCHEMBL7986652

CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc4ccc(-c5noc(C)n5)cc4c3)C(=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD4 P01730 2/20 0.41
F10 P00742 8/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 2/20 0.37
PLA2G2A P14555 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7986759 0.91 MAPT (0.42) CD4F10LMNAMAPTTHRB
SCHEMBL7996147 0.90 LMNA (0.42) F10LMNAMAPTTHRBTP53
SCHEMBL7999821 0.88 F10 (0.48) F10LMNAMAPTTP53SMN1; SMN2
SCHEMBL7996072 0.83 LMNA (0.46) F10LMNAMAPTCA12CA1
SCHEMBL7996075 0.83 F10 (0.48) F10LMNAMAPTCA12CA1
SCHEMBL7996149 0.82 HCRTR1 (0.46) LMNAMAPTTHRBTP53
SCHEMBL7997760 0.82 MAPT (0.47) F10LMNAMAPTTP53SMN1; SMN2
SCHEMBL7997639 0.81 L3MBTL1 (0.45) F10LMNAMAPTCA12CA1
SCHEMBL8000009 0.80 LMNA (0.44) F10LMNAMAPTTP53
SCHEMBL8003134 0.80 MAPT (0.48) F10LMNAMAPTTP53SMN1; SMN2

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed