SCHEMBL27770338

SCHEMBL27770338

O=C(O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
EGFR P00533 4/20 0.55
MAPT P10636 3/20 0.55
NOX4 Q9NPH5 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
RGS12 O14924 1/20 0.55
LCK P06239 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
ALB P02768 1/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LDHA P00338 1/20 0.50
LDHB P07195 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
MAOB P27338 1/20 0.48
CRHBP P24387 1/20 0.47

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
SCHEMBL27749183 0.91 EGFR (0.67) APPEGFRMAPTNOX4ALDH1A1
SCHEMBL22624722 0.81 MAPT (0.55) APPEGFRMAPTTDP1ALB
SCHEMBL3294789 0.81 MAPT (0.57) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL7809216 0.81 EGFR (0.81) EGFRMAPTNOX4ALDH1A1TDP1
SCHEMBL22624739 0.81 APP (0.65) APPEGFRMAPTALDH1A1TDP1
SCHEMBL22624810 0.80 APP (0.63) APPEGFRTDP1ALBKMT2A
SCHEMBL22624691 0.79 APP (0.66) APPEGFRMAPTALDH1A1ALB
SCHEMBL22624806 0.79 APP (0.66) APPEGFRMAPTALDH1A1ALB
SCHEMBL22624811 0.79 APP (0.66) APPEGFRMAPTALDH1A1ALB
SCHEMBL27770270 0.79 EGFR (0.60) APPEGFRMAPTNOX4ALDH1A1

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
CN-101492384-A Uses of aminosalicylic acid derivative as neuroprotective agent UNIV NANJING MEDICAL (CN) 2009-07-29 CN disclosed