SCHEMBL2008010

SCHEMBL2008010

COc1ccccc1/C(=C\c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.64
MAPT P10636 7/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP19A1 P11511 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 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
SCHEMBL2008011 1.00 AR (0.64) ARMAPTNPSR1ALDH1A1TDP1
SCHEMBL10693625 1.00 AR (0.64) ARMAPTNPSR1ALDH1A1TDP1
SCHEMBL7823815 0.83 MAPT (0.52) ARMAPTNPSR1ALDH1A1TDP1
SCHEMBL7823813 0.83 MAPT (0.52) ARMAPTNPSR1ALDH1A1TDP1
SCHEMBL13744802 0.81 AKR1C2 (0.56) ARMAPTNPSR1ALDH1A1CYP19A1
SCHEMBL19436973 0.80 MEN1 (0.51) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL19436975 0.80 MEN1 (0.51) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL11504802 0.80 AR (0.52) ARMAPTNPSR1ALDH1A1TDP1
SCHEMBL19436969 0.80 MAPT (0.52) ARMAPTALDH1A1TDP1CYP19A1
SCHEMBL19436968 0.80 MAPT (0.52) ARMAPTALDH1A1TDP1CYP19A1

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
US-7960548-B2 Keratinocyte growth factor receptor—tyrosine specific inhibitors for the prevention of cancer metastatis THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-06-14 US disclosed