SCHEMBL28763580

SCHEMBL28763580

COC(=O)NC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 3/20 0.41
CA12 O43570 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPIA P62937 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL367886 0.83 KMT2A (0.61) GAAKMT2AMEN1LMNATSHR
Hydrochloric Acid SCHEMBL29012769 0.81 KMT2A (0.59) GAAKMT2AMEN1LMNAHTR7
SCHEMBL1230255 0.78 HDAC3 (0.41) GAAKMT2ACA1CA2CA9
SCHEMBL16253852 0.73 KMT2A (0.48) KMT2ACA1CA2
SCHEMBL28603753 0.68 KMT2A (0.54) GAAKMT2AMEN1LMNATSHR
SCHEMBL7840846 0.68 KMT2A (0.54) GAAKMT2AMEN1LMNATSHR
SCHEMBL10708943 0.68 HTR7 (0.57) GAAKMT2AMEN1LMNAHTR7
SCHEMBL28608683 0.68 EGFR (0.38) GAAKMT2ACA1CA9MEN1
SCHEMBL4918205 0.68 HTR7 (0.64) GAAKMT2ACA1CA2CA9
SCHEMBL29602947 0.68 EGFR (0.38) GAAKMT2ACA1CA9MEN1

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
CN-1972960-B Processes for preparing eptifibatide MILLENNIUM PHARM INC 2010-05-12 CN disclosed
CN-1972960-A Processes for preparing eptifibatide MILLENNIUM PHARM INC (US) 2007-05-30 CN disclosed