SCHEMBL28111453

SCHEMBL28111453

O=C(c1ccccc1)C(Cl)(Cl)Cl.[CH2]CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
CES1 P23141 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 3/20 0.40
ATM Q13315 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
TRPA1 O75762 1/20 0.38
GSK3B P49841 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL132067 0.82 CES1 (0.58) CES1ALDH1A1HIF1AKMT2AMAPK1
Benzoic Acid SCHEMBL7547475 0.79 TSHR (0.61) EGFRCES1ALDH1A1HIF1AKMT2A
Acetophenone SCHEMBL11211149 0.77 SMN1; SMN2 (0.52) CES1ALDH1A1KMT2ARAB9ANPC1
Benzophenone SCHEMBL28165766 0.77 ALDH1A1 (0.64) CES1ALDH1A1KMT2ARAB9AATM
SCHEMBL10456503 0.77 CES1 (0.52) CES1ALDH1A1HIF1AKMT2AMAPK1
SCHEMBL8420277 0.76 SRC (0.47) CES1ALDH1A1HIF1AKMT2AMAPK1
SCHEMBL1433235 0.72 CES1 (0.56) CES1ALDH1A1HIF1AKMT2AMAPK1
SCHEMBL10620118 0.71 ALDH1A1 (0.41) CES1ALDH1A1MAPTHTTCYP1A2
SCHEMBL20545574 0.70 CYP1A2 (0.53) EGFRCES1ALDH1A1KMT2ARAB9A
SCHEMBL28068384 0.70 SMN1; SMN2 (0.42) CES1ALDH1A1KMT2ARAB9AATM

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
CN-103813995-B The processing method of hard substrate duplexer and the manufacture method of plate-shaped products 电化株式会社 2016-11-09 CN disclosed