SCHEMBL9868049

SCHEMBL9868049

N#Cc1ccc([N+](=O)[O-])c2c1CCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.43
MAPT P10636 7/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL7653325 0.80 BRD4 (0.39) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4846663 0.78 KDM4E (0.41) MAPTALDH1A1KMT2ARECQLMCL1
SCHEMBL31177224 0.78 TP53 (0.53) MAPTALDH1A1ALOX15KMT2AL3MBTL1
SCHEMBL7656644 0.78 HIF1A (0.41) VCAM1MAPTALDH1A1HTTKMT2A
SCHEMBL30841549 0.78 HIF1A (0.41) VCAM1MAPTALDH1A1HTTKMT2A
SCHEMBL7659144 0.78 MAPT (0.46) VCAM1MAPTALDH1A1CYP1A2KMT2A
SCHEMBL29375067 0.78 KDM4E (0.41) MAPTALDH1A1KMT2ARECQLMCL1
SCHEMBL9404841 0.78 TP53 (0.53) MAPTALDH1A1ALOX15KMT2AL3MBTL1
SCHEMBL22463118 0.78 TDP1 (0.40) MAPTALDH1A1ALOX15KMT2AMEN1
SCHEMBL4657132 0.76 TSHR (0.42) MAPTALDH1A1HTTKMT2ARECQL

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-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed