SCHEMBL8511558

SCHEMBL8511558

CC(C)(c1ccc(O)c(N)c1N)c1ccc(O)c(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
ALOX15 P16050 5/20 0.37
HSD17B10 Q99714 5/20 0.37
ESR1 P03372 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL31514901 0.84 ESR1 (0.54) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL2620525 0.82 ESR1 (0.39) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL564620 0.79 ALDH1A1 (0.48) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL5042959 0.77 ALDH1A1 (0.33) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL29689091 0.76 ALOX15 (0.42) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL7855237 0.76 ALOX15 (0.42) ALDH1A1MAPTMEN1PKMKMT2A
Benzene SCHEMBL2747613 0.73 ALDH1A1 (0.34) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL12339903 0.73 ESR1 (0.44) ALDH1A1MAPTGAAMEN1PKM
Hydrochloric Acid SCHEMBL28756357 0.73 ALOX15 (0.40) ALDH1A1MAPTGAAMEN1PKM
Hydrochloric Acid SCHEMBL28281094 0.73 ALOX15 (0.40) ALDH1A1MAPTGAAMEN1PKM

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-20120135251-A1 PHOTOSENSITIVE POLYIMIDE HAVING SILICON MODIFIED GROUP, ADHESIVE COMPOSITION AND SEMICONDUCTOR PACKAGE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-05-31 US disclosed