SCHEMBL9837769

SCHEMBL9837769

CN1CCN(C)C2SC(=C3C(=O)CC(c4ccco4)CC3=O)SC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
TDP1 Q9NUW8 5/20 0.46
POLB P06746 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 11/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAP1LC3B Q9GZQ8 2/20 0.40
GLA P06280 1/20 0.39
HTT P42858 3/20 0.39

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
SCHEMBL9837630 0.80 MEN1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MAP1LC3B
SCHEMBL9837030 0.79 MAPT (0.38) MAPTTDP1POLBNPSR1KMT2A
SCHEMBL9837566 0.75 GAA (0.42) MAPTPOLBNPSR1KMT2AALDH1A1
SCHEMBL9845996 0.74 MAPT (0.43) MAPTTDP1POLBNPSR1KMT2A
SCHEMBL9834910 0.73 KMT2A (0.43) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9845971 0.69 TDP1 (0.38) MAPTTDP1POLBNPSR1KMT2A
SCHEMBL9835656 0.68 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9836885 0.65 GRM2 (0.42) KMT2AALDH1A1MAP1LC3BHPGDPKM
SCHEMBL1177395 0.64 POLB (1.00) MAPTTDP1POLBNPSR1KMT2A
SCHEMBL21218882 0.63 CHRM5 (0.54) MAPTTDP1POLBNPSR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP claimed
US-4863925-A SUBSTITUTED NIHON NOHYAKU CO., LTD. (JP) 1989-09-05 US claimed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP claimed