SCHEMBL7669778

SCHEMBL7669778

COc1ccc(CC(=O)Nc2scc(C)c2C(N)=O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.56
MAPK9 P45984 5/20 0.56
MAPK10 P53779 5/20 0.56
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3714662 0.83 MAPK8 (0.80) MAPK8MAPK9MAPK10HTT
SCHEMBL7666534 0.81 MAPK8 (0.63) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL7003196 0.77 LY96 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7676325 0.77 LY96 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6999443 0.75 KMT2A (0.54) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL7674081 0.74 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7674085 0.74 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19427487 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL19427445 0.73 ALDH1A1 (0.75) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL6868625 0.73 MEN1 (0.63) MEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed