SCHEMBL17680666

SCHEMBL17680666

Bc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H](C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL17673192 0.86 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL19518355 0.86 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL17680928 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL17680841 0.77 CYP1A2 (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11201804 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL17673169 0.72 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL19518273 0.72 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11195406 0.71 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL19518324 0.70 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL17673257 0.70 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1

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
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed