SCHEMBL10692173

SCHEMBL10692173

CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 4/20 0.46
HCAR3 P49019 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL11693635 0.87 ALDH1A1 (0.77) ALDH1A1L3MBTL1TP53HTTSLC6A9
SCHEMBL3885646 0.87 ALDH1A1 (1.00) ALDH1A1L3MBTL1TP53HTTSLC6A9
SCHEMBL15486114 0.85 ALDH1A1 (0.74) ALDH1A1L3MBTL1TP53HTTSLC6A9
SCHEMBL3656114 0.80 MAPK1 (0.57) ALDH1A1L3MBTL1TP53HTTMAPK1
SCHEMBL27715947 0.80 ALDH1A1 (0.71) ALDH1A1L3MBTL1TP53HTTMAPK1
SCHEMBL11819145 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1TP53HTTMAPK1
SCHEMBL6241415 0.77 TDP1 (0.59) ALDH1A1L3MBTL1TP53HTTSLC6A5
SCHEMBL6554357 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTMAPK1CA12
SCHEMBL719391 0.77 L3MBTL1 (0.68) ALDH1A1L3MBTL1TP53HTTMAPK1
SCHEMBL31415352 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTMAPK1CA12

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-1988002131-A1 A PROCESS FOR PRODUCING AN ELECTROOPTICAL MATERIAL HAVING CONTROLLABLE-PROPERTIES, AND USE OF THE MATERIAL IN ELECTROOPTICAL COMPONENTS AKTIESELSKABET NORDISKE KABEL- OG TRAADFABRIKER (DK) 1988-03-24 WO disclosed