SCHEMBL1386047

SCHEMBL1386047

COc1ccccc1C(=O)Nc1cccc(C(O)CCNC(=O)c2cnc(N(C)C)nc2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.44
KCNK3 O14649 5/20 0.44
KCNK9 Q9NPC2 5/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
MAPK1 P28482 2/20 0.41
MCHR1 Q99705 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1386672 0.89 KMT2A (0.43) CASRKCNK3MCHR1POLBKMT2A
SCHEMBL1386105 0.88 MEN1 (0.47) CASRKCNK3KCNK9POLBKMT2A
SCHEMBL1383781 0.87 EPHX2 (0.45) CASRKCNK3KCNK9ABL1BCR
SCHEMBL5711059 0.87 KCNK3 (0.45) KCNK3KCNK9ABL1EGFRPDGFRB
SCHEMBL1386210 0.86 EPHX2 (0.42) CASRKCNK3ABL1PDGFRBBCR
SCHEMBL1385564 0.86 CASR (0.40) CASRPOLBKMT2AKDM4ELMNA
SCHEMBL1385431 0.85 MAPT (0.42) CASRKCNK3KCNK9ABL1PDGFRB
SCHEMBL1384630 0.85 SMN1; SMN2 (0.42) CASRKCNK3KCNK9POLBKMT2A
SCHEMBL1384916 0.85 EPHX2 (0.45) KCNK3ABL1PDGFRBBCRPDGFRA
SCHEMBL1386145 0.84 CASR (0.39) CASRPOLBKMT2ALMNA

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
JP-4825686-B2 2011-11-30 JP claimed