SCHEMBL18906015

SCHEMBL18906015

Nc1cccc(CNC(=O)c2ccco2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
HPGD P15428 1/20 0.79
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.53
BLM P54132 1/20 0.53
POLB P06746 2/20 0.52
GFER P55789 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ESR1 P03372 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
APEX1 P27695 1/20 0.48

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 0.89 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL18906018 0.84 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL5356496 0.84 KCNK3 (0.61) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL18906012 0.83 ALDH1A1 (0.82) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL13039164 0.82 ALDH1A1 (0.85) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL5123738 0.80 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL29738559 0.79 NAMPT (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1231292 0.79 CYP1A2 (0.65) ALDH1A1HPGDPKMMAPTCYP1A2
SCHEMBL15939311 0.79 NAMPT (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL12993487 0.78 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2APKM

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