SCHEMBL1818671

SCHEMBL1818671

Cc1cc(OC(C)(C(N)=O)c2ccccc2[N+](=O)[O-])ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TBXA2R P21731 1/20 0.41
FBP1 P09467 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
VCAM1 P19320 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1824801 0.85 MCL1 (0.43) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL1822178 0.84 NPSR1 (0.47) NPSR1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1821302 0.82 NPSR1 (0.52) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1820714 0.81 HDAC8 (0.43) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL1817638 0.75 KMT2A (0.52) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1818670 0.72 MCL1 (0.40) MEN1KMT2ATBXA2RFBP1MAPT
SCHEMBL29931026 0.69 NPSR1 (0.58) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1695081 0.69 NPSR1 (0.58) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1823517 0.69 MAPT (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1820711 0.68 MCL1 (0.43) MEN1KMT2AMAPTALDH1A1MCL1

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed