SCHEMBL7997909

SCHEMBL7997909

O=C(OCc1ccccc1)c1ccc(Oc2c(F)c(O)c([N+](=O)[O-])c(F)c2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 1/20 0.42
COMT P21964 1/20 0.42
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7800206 0.96 LMNA (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7794369 0.89 LMNA (0.41) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7652342 0.81 KMT2A (0.56) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7652479 0.77 MAPT (0.43) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7656023 0.77 MAPT (0.40) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7554986 0.77 BACE1 (0.41) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL10823522 0.74 KMT2A (0.76) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7649126 0.74 KMT2A (0.51) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7651791 0.73 MAPT (0.40) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL9518321 0.73 KMT2A (0.73) LMNAKMT2ATDP1SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096921-A USED FOR THE PREPARATION OF HIGH-TEMPERATURE-STABLE POLYMERS, SUCH AS POLYBENZOXAZOLES AND POLYBENZTHIAZOLES SIEMENS AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-5998662-A O-amino (thio) phenolcarboxylic acids and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-12-07 US disclosed