SCHEMBL2192976

SCHEMBL2192976

O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccccc5)cccc43)c2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.55
EHMT2 Q96KQ7 1/20 0.55
HNF4A P41235 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PPARG P37231 1/20 0.39
RORC P51449 1/20 0.37
ACLY P53396 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 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
SCHEMBL2191641 0.93 SETD7 (0.58) SETD7EHMT2ALDH1A1KDM4EKDM4C
SCHEMBL2193598 0.83 SETD7 (0.61) SETD7EHMT2ALDH1A1KDM4EKDM4C
SCHEMBL2192864 0.81 SETD7 (0.68) SETD7EHMT2PPARGRORCPOLB
SCHEMBL2192171 0.81 SETD7 (0.60) SETD7EHMT2ALDH1A1RORCDHODH
SCHEMBL2196761 0.80 SETD7 (0.81) SETD7EHMT2ALDH1A1KDM4ERORC
SCHEMBL2193530 0.78 SETD7 (0.48) SETD7EHMT2HNF4AALDH1A1POLB
SCHEMBL2196465 0.77 SETD7 (0.51) SETD7EHMT2RORCHSD17B10DHODH
SCHEMBL12492330 0.77 SETD7 (0.66) SETD7EHMT2PPARGDHODH
SCHEMBL2192050 0.74 ALDH1A1 (0.55) SETD7EHMT2ALDH1A1KDM4ELMNA
SCHEMBL4101633 0.74 KDM4E (0.63) ALDH1A1KDM4ELMNASMN1; SMN2KDM4C

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
WO-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed