SCHEMBL7091398

SCHEMBL7091398

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
CCR6 P51684 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
AR P10275 1/20 0.41
HSPB1 P04792 1/20 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
SCHEMBL28575641 0.78 HSPB1 (0.44) MAPTLMNANPSR1POLBCCR6
SCHEMBL1024954 0.76 ALDH1A1 (0.47) LMNAHPGDTDP1L3MBTL1MAPK1
SCHEMBL29672268 0.76 ALDH1A1 (0.47) LMNAHPGDTDP1L3MBTL1MAPK1
SCHEMBL4475384 0.76 LMNA (0.44) MAPTLMNAHPGDTDP1KDM4E
SCHEMBL9788491 0.75 SERPINE1 (0.56) LMNAPOLBTDP1MEN1KMT2A
SCHEMBL27886588 0.75 CYP1A2 (0.53) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL9132620 0.74 TDP1 (0.49) MAPTLMNANPSR1HPGDTDP1
SCHEMBL1023324 0.73 ALDH1A1 (0.47) MAPTLMNAHPGDTDP1MEN1
SCHEMBL7084529 0.73 SERPINE1 (0.61) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL9127093 0.73 L3MBTL1 (0.64) MAPTLMNANPSR1POLBHPGD

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