SCHEMBL4073022

SCHEMBL4073022

CCC/C(O)=C(\C)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 1/20 0.49
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL6933402 0.80 ALDH1A1 (0.59) ALDH1A1MAPTHPGDCYP2C19RECQL
SCHEMBL18940552 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHPGDCYP2C19RECQL
SCHEMBL15313233 0.79 NAPRT (0.53) ALDH1A1MAPTHPGDNAPRTHSD17B10
SCHEMBL13324799 0.77 NAPRT (0.61) ALDH1A1MAPTNAPRTHSD17B10GAA
SCHEMBL14379300 0.77 NAPRT (0.61) ALDH1A1MAPTHPGDNAPRTHSD17B10
SCHEMBL8526360 0.77 NAPRT (0.61) ALDH1A1MAPTNAPRTHSD17B10GAA
SCHEMBL5329220 0.76 NAPRT (0.50) ALDH1A1MAPTNAPRTHSD17B10GAA
SCHEMBL2638458 0.76 NAPRT (0.59) ALDH1A1MAPTNAPRTHSD17B10GAA
SCHEMBL9888 0.76 ALDH1A1 (0.86) ALDH1A1MAPTHPGDCYP2C19RECQL
SCHEMBL10420669 0.76 NAPRT (0.59) ALDH1A1MAPTNAPRTHSD17B10GAA

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
EP-2076500-A1 PHENAZINE AND QUINOXALINE SUBSTITUTED AMINO ACIDS AND POLYPEPTIDES Ambrx, Inc. (US) 2009-07-08 EP disclosed
WO-2008083346-A1 PHENAZINE AND QUINOXALINE SUBSTITUTED AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2008-07-10 WO disclosed