SCHEMBL9561783

SCHEMBL9561783

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1.O=C(Oc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MAPT P10636 6/20 0.52
LMNA P02545 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
ALOX5 P09917 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
MAOB P27338 1/20 0.50
PARP10 Q53GL7 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL28152491 0.87 MAPT (0.69) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL4254032 0.86 ALOX5 (0.62) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL3235219 0.86 ALOX5 (0.61) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL2706461 0.85 KMT2A (0.66) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL4811757 0.85 NR4A2 (0.70) KMT2ASLC6A2SLC6A3MAPTLMNA
SCHEMBL10344103 0.84 KMT2A (0.73) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL9696121 0.84 KMT2A (0.73) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL50807 0.84 KMT2A (0.73) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL10344295 0.83 KMT2A (0.68) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL9574756 0.83 KMT2A (0.71) TDP1KMT2ASLC6A2SLC6A3MAPT

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-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed