Toluene

Toluene

SCHEMBL27969372

C=CC(=O)O.Cc1ccccc1.N=C=O.N=C=O.c1ccc(OCC2CO2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.40
GRM2 Q14416 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
Toluene SCHEMBL28789124 0.97 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL27628970 0.94 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1TP53
Toluene SCHEMBL28095582 0.94 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1TP53
Toluene SCHEMBL27775605 0.90 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL28155849 0.87 TDP1 (0.72) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL29831808 0.87 TDP1 (0.72) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL452800 0.87 TDP1 (0.72) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL9137104 0.86 TDP1 (0.53) TDP1MEN1KMT2AALDH1A1TP53
Phthalic Acid SCHEMBL28602776 0.81 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1TP53
Acrylic Acid SCHEMBL5276669 0.80 TDP1 (0.54) TDP1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103959106-B laminated body SHARP CORP. (JP) 2015-09-09 CN disclosed
CN-104583813-A Moth-eye film SHARP KK 2015-04-29 CN disclosed
CN-104483721-A Laminate SHARP KK 2015-04-01 CN disclosed
CN-103959106-A Laminated body SHARP KK 2014-07-30 CN disclosed