SCHEMBL14879799

SCHEMBL14879799

O=C(C=C1CCC1)Nc1cccc(C(=O)N2CCC(OC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 5/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
KMT2A Q03164 3/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TSHR P16473 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL14879798 0.75 PARP14 (0.44) PARP14TNKSPARP1TGM2
SCHEMBL6062158 0.67 MEN1 (0.56) KMT2ATSHR
SCHEMBL24398131 0.66 FAAH (0.60) PARP14TNKSPARP1KMT2A
SCHEMBL15522912 0.66 TGM2 (0.53) KMT2ATSHRTGM2
SCHEMBL22138111 0.66 EGFR (0.62) PARP1KMT2ATSHRCCNKCCNA2
SCHEMBL24557367 0.66 CCNK (0.55) PARP14TNKSPARP1KMT2ATSHR
SCHEMBL7231708 0.65 FAAH (0.62) PARP14TNKSPARP1KMT2A
SCHEMBL2193089 0.65 NPC1 (0.54) KMT2A
SCHEMBL23325317 0.65 EGFR (0.64) PARP1KMT2ATSHRCCNKCCNA2
SCHEMBL13967563 0.64 PARP14 (0.48) PARP14TNKSPARP1KMT2ATSHR

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
EP-2694707-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME Cornell University (US) 2014-02-12 EP disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed