SCHEMBL3364349

SCHEMBL3364349

COC(=O)Oc1cc2cc([N+](=O)[O-])c(O)c(O)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.40
GPR35 Q9HC97 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL1608180 0.81 ERN1 (0.41) CASP6GPR35ALDH1A1MAPTHPGD
SCHEMBL5231955 0.78 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8187301 0.75 ALDH1A1 (0.37) ALDH1A1MAPTHPGDMAPK1COMT
SCHEMBL5231561 0.72 SMN1; SMN2 (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5202332 0.72 SMN1; SMN2 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5229628 0.71 SLC9A1 (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6976938 0.71 HTT (0.37) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL3367675 0.68 COMT (0.46) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL5230123 0.67 CHRNA7 (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7448258 0.67 SMN1; SMN2 (0.47) CASP6ALDH1A1MAPTMEN1KMT2A

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
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed