SCHEMBL7085002

SCHEMBL7085002

O=[N+]([O-])c1ccc(Cl)nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
LMNA P02545 1/20 0.63
SERPINE1 P05121 12/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CASP6 P55212 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2C P28335 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL7142564 0.78 SERPINE1 (0.66) MAPTHTTL3MBTL1LMNASERPINE1
SCHEMBL7087727 0.76 SERPINE1 (1.00) MAPTHTTL3MBTL1LMNASERPINE1
SCHEMBL101570 0.75 ALDH1A1 (0.69) MAPTHTTL3MBTL1LMNAMEN1
SCHEMBL30434695 0.74 POLB (0.58) MAPTHTTL3MBTL1MEN1KMT2A
SCHEMBL9564464 0.74 POLB (0.58) MAPTHTTL3MBTL1MEN1KMT2A
SCHEMBL5329963 0.74 MAPT (0.64) MAPTHTTL3MBTL1LMNASERPINE1
SCHEMBL7091041 0.74 LMNA (0.70) MAPTHTTL3MBTL1LMNASERPINE1
SCHEMBL7450080 0.73 MAPT (0.66) MAPTHTTL3MBTL1LMNAMEN1
SCHEMBL28226906 0.73 ALDH1A1 (0.77) MAPTHTTL3MBTL1LMNAMEN1
SCHEMBL29074136 0.72 POLB (0.55) MAPTL3MBTL1LMNAPOLBTDP1

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