SCHEMBL27770288

SCHEMBL27770288

O=C(O)CNc1cccc2c(C(=O)c3cccc([N+](=O)[O-])c3[N+](=O)[O-])cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.39
GPR35 Q9HC97 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
CTSD P07339 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FBP1 P09467 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KCNMA1 Q12791 1/20 0.37
CDK2 P24941 1/20 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
SCHEMBL7697 0.89 MEN1 (0.43) ALDH1A1MEN1KMT2AGAAGPR35
SCHEMBL8621506 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1653792 0.82 GPR35 (0.49) ALDH1A1MEN1KMT2AGAAGPR35
SCHEMBL3134716 0.78 CTSD (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL7417028 0.77 GPR35 (0.60) ALDH1A1GPR35TSHRCTSDL3MBTL1
SCHEMBL124292 0.74 MEN1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL6032002 0.74 MEN1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL27600331 0.74 CTSD (0.49) ALDH1A1MEN1KMT2AGPR35TSHR
SCHEMBL8622916 0.74 MEN1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8624807 0.73 CTSD (0.46) ALDH1A1MEN1KMT2AGAAGPR35

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-100509102-C Separation column with photopolymerizable sol-gel component and associated method UNIV LELAND STANFORD JUNIOR (US) 2009-07-08 CN disclosed