SCHEMBL9837340

SCHEMBL9837340

COc1ccc(C2CC(=O)C(=C3SC4NCCNC4(C)S3)C(=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GLA P06280 2/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP2K1 Q02750 1/20 0.35
TP53 P04637 3/20 0.35
MAP1LC3B Q9GZQ8 2/20 0.35
TSHR P16473 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 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
SCHEMBL9835316 0.78 ALDH1A1 (0.43) MAPTGAAHPGDLMNAALDH1A1
SCHEMBL9837112 0.69 ALDH1A1 (0.41) MAPTGAAHPGDLMNAALDH1A1
SCHEMBL9834910 0.69 KMT2A (0.43) MAPTGAAHPGDLMNAALDH1A1
SCHEMBL428339 0.66 ALDH1A1 (0.60) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL14492202 0.65 ALDH1A1 (0.55) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL21795162 0.61 ALDH1A1 (0.51) MAPTGAAHPGDLMNAALDH1A1
SCHEMBL1177339 0.60 ALDH1A1 (0.57) MAPTGAAHPGDALDH1A1KMT2A
SCHEMBL10669924 0.59 ALDH1A1 (0.49) MAPTGAAHPGDALDH1A1KMT2A
SCHEMBL10552450 0.59 MAOA (0.46) MAPTGAAHPGDALDH1A1KMT2A
SCHEMBL2474471 0.59 ALDH1A1 (0.55) MAPTHPGDALDH1A1KMT2AMEN1

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