SCHEMBL6528089

SCHEMBL6528089

CC(NC(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ACSS2 Q9NR19 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
DDR1 Q08345 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
CSF1R P07333 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL598669 0.85 LMNA (0.53) KDM4ELMNAALDH1A1L3MBTL1TAS1R3
SCHEMBL6526024 0.85 L3MBTL1 (0.55) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL6533170 0.85 L3MBTL1 (0.55) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL5101081 0.82 L3MBTL1 (0.47) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL5101086 0.82 L3MBTL1 (0.47) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL5100806 0.78 L3MBTL1 (0.52) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL5096847 0.78 L3MBTL1 (0.50) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL5096849 0.78 L3MBTL1 (0.50) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL1479881 0.77 DDR1 (0.44) KDM4ELMNAL3MBTL1TDP1DDR1
SCHEMBL1481058 0.77 DDR1 (0.52) KDM4ELMNAALDH1A1L3MBTL1TDP1

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 claimed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO claimed