SCHEMBL9837030

SCHEMBL9837030

CN1CCN(C)C2(C)SC(=C3C(=O)CC(c4ccco4)CC3=O)SC12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
POLB P06746 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
MAP1LC3B Q9GZQ8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
APOBEC3A P31941 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9837769 0.79 MAPT (0.46) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL9845996 0.65 MAPT (0.43) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL9845971 0.60 TDP1 (0.38) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL14125492 0.59 POLB (0.59) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL1177395 0.58 POLB (1.00) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL21218882 0.57 CHRM5 (0.54) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL15500328 0.56 CHRM5 (0.46) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL14985347 0.56 CHRM5 (0.46) MAPTPOLBTDP1KMT2ANPSR1
SCHEMBL9837566 0.56 GAA (0.42) MAPTPOLBKMT2ANPSR1ALDH1A1
SCHEMBL7751093 0.56 POLB (0.58) MAPTPOLBTDP1KMT2ANPSR1

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