SCHEMBL9837112

SCHEMBL9837112

COc1ccc(C2CC(=O)C(=C3SC4NCC(C)NC4S3)C(=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
GLA P06280 1/20 0.36
MAOA P21397 2/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL9834910 0.74 KMT2A (0.43) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL9837340 0.69 MAPT (0.37) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL428339 0.69 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL10552450 0.67 MAOA (0.46) ALDH1A1KMT2AMAPK1SMN1; SMN2NPC1
SCHEMBL1177339 0.66 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL14492202 0.65 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21795162 0.64 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1268717 0.62 TSHR (0.69) ALDH1A1KMT2AMAPK1MAPTGAA
SCHEMBL18117753 0.62 TSHR (0.69) ALDH1A1KMT2AMAPK1MAPTGAA

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