SCHEMBL7941503

SCHEMBL7941503

C=CCNC(=O)c1cc(F)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NOCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.36
TOP1 P11387 2/20 0.36
CA2 P00918 4/20 0.35
CA4 P22748 2/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7787200 0.86 PTGS2 (0.31)
SCHEMBL7802511 0.85 AKR1C3 (0.30)
SCHEMBL7802481 0.83 MEN1 (0.35) MT-CO2TOP1KMT2AMEN1ALDH1A1
SCHEMBL7800395 0.79 HPGD (0.40) MT-CO2TOP1POLBKMT2AMEN1
SCHEMBL7800486 0.79 CA2 (0.37) CA2POLBKMT2AMEN1NPSR1
SCHEMBL6036055 0.79 MEN1 (0.50) MT-CO2TOP1CA2KMT2AMEN1
SCHEMBL7787570 0.78 AKR1C3 (0.33) LMNAHTTSMN1; SMN2
SCHEMBL7938680 0.78 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL6036035 0.77 MEN1 (0.48) KMT2AMEN1
SCHEMBL7932216 0.76 AKR1C3 (0.31) CA2CA1

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