Sugi Predict

Sugi Predict / Compounds / SCHEMBL4034716

SCHEMBL4034716

SCHEMBL4034716

CCCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NCc3ccc(Cl)cc3Cl)C2)c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.42
▸ EPHX2 P34913 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
SCHEMBL4035745 0.89 MMP1 (0.40) —
SCHEMBL4034713 0.89 ALDH1A1 (0.44) P2RX7EPHX2
SCHEMBL4037876 0.88 ALDH1A1 (0.46) —
SCHEMBL4035552 0.83 P2RX7 (0.51) P2RX7EPHX2
SCHEMBL4036678 0.82 CA12 (0.47) P2RX7EPHX2
SCHEMBL4040076 0.81 EPHX2 (0.48) P2RX7EPHX2
SCHEMBL4032375 0.80 CA12 (0.46) P2RX7EPHX2
SCHEMBL4033612 0.79 RAB9A (0.38) —
SCHEMBL4033312 0.77 P2RX7 (0.45) P2RX7EPHX2
SCHEMBL4033086 0.77 MMP1 (0.50) P2RX7EPHX2

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