SCHEMBL17680888

SCHEMBL17680888

Bc1ccc(OC)c([N+](=O)[O-])c1N[C@H](C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37

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
SCHEMBL19518336 0.85 KDM4E (0.41) L3MBTL1POLBKDM4ECTDSP1TDP1
SCHEMBL17673210 0.85 KDM4E (0.41) L3MBTL1POLBKDM4ECTDSP1TDP1
SCHEMBL17680663 0.84 PIM1 (0.38) L3MBTL1POLBKDM4EALDH1A1CYP1A2
SCHEMBL17680858 0.84 KMT2A (0.38) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17680841 0.76 CYP1A2 (0.44) L3MBTL1POLBTDP1ALDH1A1CYP1A2
SCHEMBL17680928 0.69 ALDH1A1 (0.43) L3MBTL1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL17673268 0.69 PIM1 (0.40) L3MBTL1POLBKDM4EALDH1A1CYP1A2
SCHEMBL19518192 0.69 PIM1 (0.40) L3MBTL1POLBKDM4EALDH1A1CYP1A2
SCHEMBL19518201 0.69 KMT2A (0.38) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17673305 0.69 KMT2A (0.38) POLBALDH1A1CYP1A2CYP3A4CYP2D6

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