SCHEMBL2192171

SCHEMBL2192171

Cc1ccc(C(=O)O)cc1NCc1cccc(-n2ccc3c(-c4ccccc4)cccc32)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.60
EHMT2 Q96KQ7 1/20 0.60
HDAC8 Q9BY41 5/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CREBBP Q92793 1/20 0.43
RORC P51449 1/20 0.42
DHODH Q02127 1/20 0.40
DDR2 Q16832 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PPM1D O15297 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
SCHEMBL2192864 0.85 SETD7 (0.68) SETD7EHMT2HDAC8HDAC6RORC
SCHEMBL2196761 0.84 SETD7 (0.81) SETD7EHMT2HDAC8HDAC6RORC
SCHEMBL2191641 0.83 SETD7 (0.58) SETD7EHMT2RORCDHODHMEN1
SCHEMBL2192976 0.81 SETD7 (0.55) SETD7EHMT2RORCDHODHALDH1A1
SCHEMBL2194283 0.77 SETD7 (0.84) SETD7EHMT2RORCMEN1NPC1
SCHEMBL2193598 0.76 SETD7 (0.61) SETD7EHMT2RORCALDH1A1MAPT
SCHEMBL2192071 0.76 SETD7 (0.56) SETD7EHMT2RORCMEN1NPC1
SCHEMBL2196465 0.76 SETD7 (0.51) SETD7EHMT2RORCDHODH
SCHEMBL2194005 0.75 SETD7 (1.00) SETD7EHMT2RORCNPC1RAB9A
SCHEMBL29365843 0.75 SETD7 (1.00) SETD7EHMT2RORCNPC1RAB9A

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