SCHEMBL9835316

SCHEMBL9835316

COc1ccc(C2CC(=O)C(=C3SC4NCCNC4S3)C(=O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 3/20 0.40
MAP1LC3B Q9GZQ8 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
USP2 O75604 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 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
SCHEMBL9837112 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL10552450 0.79 MAOA (0.46) ALDH1A1KMT2ASMN1; SMN2MAPK1MAP2K1
SCHEMBL9834910 0.79 KMT2A (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL9837340 0.78 MAPT (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL428339 0.73 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL14492202 0.69 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL21795162 0.68 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL1177339 0.67 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL2474471 0.66 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL10815794 0.65 CYP19A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1

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 5 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
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP disclosed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP disclosed