SCHEMBL7021064

SCHEMBL7021064

Cc1c(Cl)nc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
TPSAB1 Q15661 9/20 0.42
PARP1 P09874 1/20 0.40
KLK7 P49862 1/20 0.40
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
PRSS1 P07477 1/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL7020326 0.91 TPSAB1 (0.43) TPSAB1MEN1KMT2AF2F7
SCHEMBL7027708 0.91 TPSAB1 (0.43) TPSAB1MEN1KMT2AF2F7
SCHEMBL7025656 0.86 PRMT5 (0.38) PRMT5TPSAB1OPRD1MEN1KMT2A
SCHEMBL7020166 0.85 TPSAB1 (0.45) PRMT5TPSAB1PARP1
SCHEMBL7026301 0.84 TSHR (0.43) TPSAB1MEN1KMT2AF2F7
SCHEMBL7017803 0.84 TSHR (0.45) TPSAB1MEN1KMT2AF2F7
SCHEMBL7020466 0.84 TPSAB1 (0.43) TPSAB1MEN1KMT2AF2F7
SCHEMBL7021757 0.84 TPSAB1 (0.42) TPSAB1MEN1KMT2AF2F7
SCHEMBL7018545 0.84 TPSAB1 (0.43) TPSAB1MEN1KMT2AF2F7
SCHEMBL7029085 0.84 TPSAB1 (0.43) TPSAB1MEN1KMT2AF2F7

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed