SCHEMBL9836877

SCHEMBL9836877

Cc1ccc(C2CC(=O)C(=C3SC4C(S3)N(C)CCN4C)C(=O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 7/20 0.44
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.87 MEN1 (0.47) MAP1LC3BHPGDSMN1; SMN2TSHRLMNA
SCHEMBL9834910 0.85 KMT2A (0.43) MAP1LC3BHPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL9845968 0.80 MAP1LC3B (0.38) MAP1LC3BHPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL9837566 0.77 GAA (0.42) MAP1LC3BHPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL9837769 0.76 MAPT (0.46) MAP1LC3BHPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL9835656 0.72 ALDH1A1 (0.42)
SCHEMBL428432 0.70 MAP1LC3B (0.55) MAP1LC3BHPGDSMN1; SMN2LMNAPOLB
SCHEMBL9836885 0.69 GRM2 (0.42) MAP1LC3BHPGDLMNAMEN1KMT2A
SCHEMBL21795165 0.65 MAP1LC3B (0.68) MAP1LC3BHPGDSMN1; SMN2TSHRRXFP1
SCHEMBL21821615 0.64 MAP1LC3B (0.66) MAP1LC3BHPGDSMN1; SMN2TSHRRXFP1

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