SCHEMBL6471308

SCHEMBL6471308

CC(NC(=O)c1ccc(C(=O)N2CCSC2)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
DPP4 P27487 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 6/20 0.41
HRH3 Q9Y5N1 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
ALOX15 P16050 1/20 0.38
CCKBR P32239 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 1/20 0.37
IP6K1 Q92551 1/20 0.37
PRSS12 P56730 1/20 0.36
PRCP P42785 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5109888 0.93 TDP1 (0.46) TDP1DPP4L3MBTL1CCKBRKDM4E
SCHEMBL14177368 0.89 TDP1 (0.49) TDP1L3MBTL1HRH4HRH3S1PR1
SCHEMBL5100339 0.88 TDP1 (0.47) TDP1L3MBTL1HRH4HRH3KDM4E
SCHEMBL5097259 0.85 TDP1 (0.43) TDP1DPP4L3MBTL1HRH4HRH3
SCHEMBL5096980 0.82 TDP1 (0.49) TDP1L3MBTL1HRH4HRH3KDM4E
SCHEMBL5104124 0.81 TDP1 (0.48) TDP1L3MBTL1HRH4HRH3KDM4E
SCHEMBL5110461 0.80 TDP1 (0.47) TDP1L3MBTL1HRH4HRH3KDM4E
SCHEMBL5100728 0.80 TDP1 (0.49) TDP1L3MBTL1HRH4HRH3KDM4E
SCHEMBL5103717 0.80 TDP1 (0.47) TDP1L3MBTL1S1PR1S1PR3KDM4E
SCHEMBL5100953 0.80 TDP1 (0.49) TDP1L3MBTL1HRH4HRH3S1PR1

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