SCHEMBL7315641

SCHEMBL7315641

COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)O)c(Cc2ccccc2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.54
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
FFAR4 Q5NUL3 3/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GAA P10253 3/20 0.43
MMP1 P03956 2/20 0.42
MMP13 P45452 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
POLB P06746 2/20 0.40
FABP4 P15090 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL7314226 0.93 FFAR4 (0.43) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7322650 0.88 METAP2 (0.58) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7325564 0.85 METAP2 (0.49) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7317721 0.85 METAP2 (0.57) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7318667 0.83 METAP2 (0.45) METAP2MEN1KMT2AGAAMMP1
SCHEMBL7317403 0.82 METAP2 (0.48) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7325546 0.79 METAP2 (0.56) METAP2MEN1KMT2AMMP13ALDH1A1
SCHEMBL7313454 0.78 ACLY (0.51) METAP2MEN1KMT2AFFAR4GAA
SCHEMBL7315387 0.78 FFAR4 (0.44) METAP2MEN1KMT2AFFAR4GABRG2
SCHEMBL7311131 0.78 FFAR4 (0.44) METAP2MEN1KMT2AFFAR4GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed