SCHEMBL11240396

SCHEMBL11240396

CCOC(=O)c1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 3/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAPK1 P28482 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL11245753 0.85 MAPT (0.63) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11233436 0.83 KMT2A (0.55) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL2827099 0.82 ALDH1A1 (0.66) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL260606 0.82 KMT2A (0.64) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11246229 0.80 MAPT (0.55) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11238983 0.78 MAPT (0.71) MAPTALDH1A1KMT2ALMNAMEN1
4-Chloro-3-Nitrobenzoic Acid SCHEMBL7843735 0.77 KMT2A (0.58) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL628112 0.77 PTPRF (0.59) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL6004969 0.77 KCNQ3 (0.51) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11253249 0.76 TRPV1 (0.64) MAPTALDH1A1KMT2ALMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed