SCHEMBL8409167

SCHEMBL8409167

CC(C)(C)c1cc(CNC(=O)c2ccc(C(N)=O)cc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.49
NR1H4 Q96RI1 7/20 0.49
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.42
TTR P02766 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BTK Q06187 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MAPK8 P45983 1/20 0.38
DRD2 P14416 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8061576 0.95 LMNA (0.47) EPHX2NR1H4LMNARAB9AEGFR
SCHEMBL8408911 0.92 NR1H4 (0.40) EPHX2NR1H4LMNARAB9AEGFR
SCHEMBL8061717 0.89 TTR (0.42) EPHX2NR1H4LMNARAB9AEGFR
SCHEMBL8408952 0.87 NPC1 (0.47) EPHX2NR1H4LMNARAB9ATTR
SCHEMBL9408737 0.85 RAB9A (0.40) EPHX2LMNARAB9AEGFRTTR
SCHEMBL8408950 0.85 TTR (0.41) EPHX2NR1H4LMNARAB9ATTR
SCHEMBL8409160 0.84 TTR (0.40) EPHX2NR1H4LMNARAB9ATTR
SCHEMBL8407973 0.82 TTR (0.38) EPHX2NR1H4LMNARAB9ATTR
SCHEMBL11396584 0.81 RAB9A (0.38) LMNARAB9AEGFRTTRBTK
SCHEMBL8043991 0.81 NPC1 (0.52) LMNARAB9ATTRALDH1A1MAPT

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-5935900-A BENZOTRIAZOLE COMPOUND, DIPHENYLSULFONE ELECTRON ACCEPTOR OJL PAPER CO., LTD. (JP) 1999-08-10 US disclosed