SCHEMBL7089573

SCHEMBL7089573

O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 12/20 0.64
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CASP6 P55212 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR7 P34969 1/20 0.48
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL7091114 0.87 SERPINE1 (0.77) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7087633 0.80 SERPINE1 (0.78) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7085685 0.78 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7088258 0.77 SERPINE1 (0.65) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7085804 0.75 SERPINE1 (0.88) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL30883140 0.73 SERPINE1 (0.61) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7087872 0.73 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7091901 0.73 SERPINE1 (0.71) SERPINE1MAPTHTTLMNAL3MBTL1
SCHEMBL7088218 0.72 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTHTT
SCHEMBL7087727 0.72 SERPINE1 (1.00) SERPINE1MEN1KMT2AMAPTHTT

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