SCHEMBL6855348

SCHEMBL6855348

O=C(O)C(Nc1cccc(Cl)c1Cl)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK14 Q16539 2/20 0.38
TSHR P16473 3/20 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
SCHEMBL3815320 0.82 MAPT (0.46) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL3176692 0.79 MEN1 (0.50) KMT2AMEN1PKMLMNAMAPT
SCHEMBL3810329 0.79 CA1 (0.46) KMT2AMEN1PKMPOLBPTPN1
SCHEMBL3809482 0.74 KMT2A (0.45) KMT2AMEN1PKMPOLBPTPN1
SCHEMBL15568569 0.72 MEN1 (0.50) KMT2AMEN1PKMLMNAMAPT
SCHEMBL3879022 0.72 MEN1 (0.50) KMT2AMEN1PKMLMNAMAPT
SCHEMBL15568879 0.72 MEN1 (0.50) KMT2AMEN1PKMLMNAMAPT
SCHEMBL3809816 0.72 MEN1 (0.39) KMT2AMEN1PKMPOLBLMNA
SCHEMBL4859517 0.70 MEN1 (0.58) KMT2AMEN1PKMLMNAMAPT
SCHEMBL3812077 0.70 POLB (0.47) KMT2AMEN1PKMPOLBPTPN1

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-6797712-B2 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-09-28 US disclosed