SCHEMBL4004186

SCHEMBL4004186

CN(Cc1cccc(F)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
TDP1 Q9NUW8 1/20 0.72
TACR1 P25103 3/20 0.62
RIPK1 Q13546 1/20 0.54
SCD5 Q86SK9 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
HPGD P15428 2/20 0.50
LIPE Q05469 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL17266198 0.81 MEN1 (0.67) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL6417274 0.77 RIPK1 (0.64) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL9112410 0.75 TACR1 (0.70) MEN1KMT2ATDP1TACR1CRHBP
SCHEMBL29565351 0.75 RIPK1 (0.65) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL13738659 0.74 RIPK1 (0.72) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL254915 0.73 AOC3 (0.58) MEN1KMT2ARIPK1SCD5FOLH1
SCHEMBL7882340 0.73 MEN1 (0.57) MEN1KMT2ATDP1TACR1RIPK1
SCHEMBL6412442 0.72 MEN1 (0.56) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL6412445 0.72 MEN1 (0.56) MEN1KMT2ARIPK1SCD5HPGD
SCHEMBL8572659 0.72 KDM4E (0.61) MEN1KMT2ATDP1TACR1CRHBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041071-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-04-01 EP disclosed
WO-2008002676-A9 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-07-03 WO disclosed
WO-2008002676-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO disclosed