SCHEMBL3684376

SCHEMBL3684376

CC1=CC(=O)N(c2cc(C)c(N3C(=O)C=C(C)C3=O)cc2C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HSP90AA1 P07900 2/20 0.34
CCR6 P51684 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NLRP1 Q9C000 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
XPO1 O14980 1/20 0.34
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MGLL Q99685 1/20 0.32
BRD4 O60885 1/20 0.31
BRD1 O95696 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
RGS12 O14924 1/20 0.30

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
SCHEMBL3679147 0.88 MGLL (0.33) HPGDMGLL
SCHEMBL2229875 0.87 MGLL (0.43) HPGDHSP90AA1CCR6MAPTPKM
SCHEMBL3686454 0.81 KMT2A (0.41) HPGDHSP90AA1MAPTNPSR1ALDH1A1
SCHEMBL1116215 0.81 KMT2A (0.41) HPGDHSP90AA1MAPTPKMNPSR1
SCHEMBL3679429 0.79 CCR6 (0.36) HSP90AA1CCR6XPO1
SCHEMBL7193393 0.78 TLR9 (0.48) MAPTPKMNPSR1XPO1MGLL
SCHEMBL9492119 0.78 MGLL (0.60) HPGDMAPTNPSR1ALDH1A1TDP1
SCHEMBL30473083 0.78 MGLL (0.60) HPGDMAPTNPSR1ALDH1A1TDP1
SCHEMBL3681498 0.77 CCR6 (0.33) HSP90AA1CCR6
SCHEMBL2230092 0.77 MGLL (0.44) HPGDHSP90AA1CCR6MAPTPKM

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
US-20100175805-A1 RUBBER COMPOSITION FOR COVERING TEXTILE CORD AND TIRE EMPLOYING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-07-15 US disclosed