SCHEMBL4670441

SCHEMBL4670441

O=C(NCc1ccccc1)c1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NCEH1 Q6PIU2 2/20 0.44
NR1H4 Q96RI1 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITK Q08881 1/20 0.42
PLAU P00749 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL4672855 0.81 NCEH1 (0.38) LMNANCEH1HPGDMEN1NPC1
SCHEMBL4672458 0.80 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1NCEH1NR1H4
SCHEMBL4673276 0.80 NCEH1 (0.43) ALDH1A1LMNAL3MBTL1NCEH1HPGD
SCHEMBL4673574 0.77 NCEH1 (0.38) ALDH1A1LMNANCEH1HPGDNPC1
SCHEMBL4673581 0.76 NCEH1 (0.37) LMNANCEH1HPGDMEN1NPC1
SCHEMBL4673571 0.76 NCEH1 (0.35) NCEH1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL4676179 0.75 NCEH1 (0.40) LMNAL3MBTL1NCEH1HPGDMEN1
SCHEMBL4673960 0.75 NCEH1 (0.40) LMNAL3MBTL1NCEH1HPGDMAPT
SCHEMBL4672861 0.75 ROCK1 (0.41) NCEH1MEN1NPC1MAPTRAB9A
SCHEMBL6585048 0.74 PTPN1 (0.42) L3MBTL1MEN1MAPTKMT2ASMN1; SMN2

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-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed