SCHEMBL6533170

SCHEMBL6533170

C[C@H](NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PRCP P42785 6/20 0.48
FPR1 P21462 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDR P35968 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL6526024 1.00 L3MBTL1 (0.55) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL598669 0.89 LMNA (0.53) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL5100806 0.88 L3MBTL1 (0.52) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL6528089 0.85 NPSR1 (0.53) L3MBTL1KDM4ELMNAALDH1A1TDP1
SCHEMBL27315337 0.85 L3MBTL1 (0.69) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL5096849 0.85 L3MBTL1 (0.50) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL5096847 0.85 L3MBTL1 (0.50) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL5100623 0.83 L3MBTL1 (0.48) L3MBTL1KDM4ELMNAALDH1A1TSHR
SCHEMBL5100444 0.83 TDP1 (0.48) L3MBTL1KDM4ELMNATDP1MEN1
SCHEMBL5100614 0.83 L3MBTL1 (0.48) L3MBTL1KDM4ELMNAALDH1A1TSHR

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
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed