SCHEMBL7084183

SCHEMBL7084183

O=C(O)c1cc(Br)ccc1Oc1cccc(F)c1CNc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 18/20 1.00
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7085297 0.90 SERPINE1 (0.81) SERPINE1LMNA
SCHEMBL7087883 0.82 SERPINE1 (0.69) SERPINE1
SCHEMBL7089125 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7088324 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7088252 0.76 SERPINE1 (0.77) SERPINE1KDM4EALDH1A1GAA
SCHEMBL1421137 0.76 SERPINE1 (1.00) SERPINE1
SCHEMBL7084542 0.73 SERPINE1 (1.00) SERPINE1
SCHEMBL7091010 0.71 SERPINE1 (1.00) SERPINE1
SCHEMBL7089570 0.70 SERPINE1 (0.61) SERPINE1LMNATSHRHTT
SCHEMBL7088443 0.70 SERPINE1 (0.90) SERPINE1KDM4ETSHR

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-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed