SCHEMBL9479693

SCHEMBL9479693

CC(C)(C)[Si](C)(C)Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
HSD17B10 Q99714 4/20 0.46
ALOX12 P18054 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 4/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL16411847 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10ALOX12TDP1
SCHEMBL16468141 0.93 GAA (0.46) ALDH1A1L3MBTL1TDP1MAPK1MAPT
SCHEMBL17782675 0.87 KDR (0.45) ALDH1A1HSD17B10TDP1MAPK1MAPT
SCHEMBL9479203 0.87 MEN1 (0.46) ALDH1A1L3MBTL1HSD17B10ALOX12TDP1
SCHEMBL6155918 0.86 PREP (0.44) ALDH1A1L3MBTL1TDP1MAPK1PTGS2
SCHEMBL17782436 0.86 MAPT (0.61) ALDH1A1L3MBTL1TDP1MAPK1MAPT
SCHEMBL16467862 0.85 KDM4E (0.43) ALDH1A1ALOX12TDP1MAPTMEN1
SCHEMBL16468005 0.84 NPSR1 (0.53) MAPK1MAPTHPGDMEN1KMT2A
SCHEMBL16467970 0.84 SCN9A (0.44) L3MBTL1TDP1MAPK1MAPTGAA
SCHEMBL16411425 0.84 PREP (0.40) L3MBTL1TDP1MAPK1MAPTGAA

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-5210065-A A mixture of an aromatic amine, an oxidizer and an acid MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-05-11 US disclosed
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed