SCHEMBL4032375

SCHEMBL4032375

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NCc3ccc(Cl)cc3Cl)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
P2RX7 Q99572 11/20 0.45
LMNA P02545 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
EPHX2 P34913 3/20 0.40

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
SCHEMBL4036678 0.92 CA12 (0.47) CA12CA1CA2CA9P2RX7
SCHEMBL4035552 0.89 P2RX7 (0.51) P2RX7EPHX2
SCHEMBL4032374 0.88 ALDH1A1 (0.49) CA12CA1CA2CA9P2RX7
SCHEMBL4040076 0.87 EPHX2 (0.48) CA12CA1CA2CA9P2RX7
SCHEMBL4038551 0.87 MMP1 (0.45) CA12CA1CA2CA9
SCHEMBL4035100 0.84 MAPT (0.50) LMNA
SCHEMBL4033312 0.83 P2RX7 (0.45) P2RX7EPHX2
SCHEMBL4032560 0.83 MMP1 (0.43)
SCHEMBL4033086 0.82 MMP1 (0.50) P2RX7EPHX2
SCHEMBL4038771 0.82 P2RX7 (0.45) P2RX7LMNAEPHX2

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed