SCHEMBL7941506

SCHEMBL7941506

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAP2K1 Q02750 5/20 0.37
PTGS2 P35354 1/20 0.36
LRRK2 Q5S007 2/20 0.34
AKR1C3 P42330 1/20 0.34
MAP2K2 P36507 3/20 0.34
CNR1 P21554 2/20 0.34
RAF1 P04049 1/20 0.34
PDGFRB P09619 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
AURKC Q9UQB9 1/20 0.34

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
SCHEMBL7802471 0.95 NPC1 (0.41) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7938698 0.87 KMT2A (0.35) MEN1KMT2APTGS2AKR1C3CNR1
SCHEMBL7780221 0.86 MAP2K1 (0.46) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7787480 0.86 MAP2K1 (0.44) MEN1KMT2ATDP1HPGDHSD17B10
SCHEMBL7802500 0.84 LRRK2 (0.46) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7784773 0.83 MAPT (0.36) MEN1KMT2ATDP1PTGS2AKR1C3
SCHEMBL7802481 0.81 MEN1 (0.35) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7784763 0.80 MT-CO2 (0.42) NPC1RAB9ACNR1FAAHCNR2
SCHEMBL6036035 0.80 MEN1 (0.48) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7800490 0.80 MAP2K1 (0.50) KMT2AHPGDHSD17B10MAP2K1MAP2K2

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-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed