SCHEMBL7656023

SCHEMBL7656023

O=C(OCc1ccccc1)c1ccc(Oc2c(F)c(Oc3cccc(OCc4ccccc4)c3[N+](=O)[O-])c(F)c(F)c2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPD P32754 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
NR4A2 P43354 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL7651791 0.87 MAPT (0.40) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7649126 0.82 KMT2A (0.51) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7997909 0.77 LMNA (0.49) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7795079 0.76 MEN1 (0.40) MAPTRAB9AKMT2APTPN1PTPN6
SCHEMBL7652479 0.76 MAPT (0.43) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7800206 0.74 LMNA (0.45) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7652342 0.71 KMT2A (0.56) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7657358 0.70 KMT2A (0.42) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL7654964 0.69 MAPT (0.49) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL2991148 0.69 HTT (0.53) RAB9AALDH1A1KMT2ATDP1SMN1; SMN2

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
US-6437178-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH NITRO(THIO)PHENOL; REDUCTION INFINEON TECHNOLOGIES AG (DE) 2002-08-20 US disclosed