SCHEMBL18906012

SCHEMBL18906012

O=C(NCc1cccc(O)c1)c1ccco1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
HPGD P15428 1/20 0.82
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
PKM P14618 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.55
ESR1 P03372 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
NQO2 P16083 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SRC P12931 1/20 0.52
GAA P10253 1/20 0.51
CTDSP1 Q9GZU7 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
SCHEMBL16266238 0.90 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL13039164 0.83 ALDH1A1 (0.85) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL18906015 0.83 ALDH1A1 (0.79) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL5123738 0.82 ALDH1A1 (0.77) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL12993487 0.80 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL9416647 0.79 ROCK2 (0.65) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL18912363 0.78 ROCK2 (0.56) ALDH1A1HPGDKMT2APKMPOLB
SCHEMBL5724150 0.78 ROCK2 (0.68) ALDH1A1HPGDROCK2ROCK1SRC
SCHEMBL3095669 0.77 ALDH1A1 (0.70) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL2806074 0.76 CYP1A2 (0.59) ALDH1A1KMT2APKMPOLBESR1

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-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed