SCHEMBL6919581

SCHEMBL6919581

CCCCCSc1ccc(C2SCC(=O)N2Cc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 1/20 0.58
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
HTR7 P34969 2/20 0.43
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSMD14 O00487 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL5152438 0.88 MEN1 (0.72) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL5152843 0.83 MEN1 (0.75) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL19306397 0.78 KMT2A (0.78) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL5155073 0.76 MEN1 (0.55) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL5156863 0.74 MEN1 (0.53) MEN1KMT2AMAPTHTR7
SCHEMBL19306513 0.74 MEN1 (0.71) MEN1KMT2AMAPTHPGDCYP2C9
SCHEMBL19305954 0.73 MEN1 (0.81) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL5155057 0.71 KMT2A (0.67) MEN1KMT2AMAPTPOLBCYP2C9
SCHEMBL5694454 0.71 MAOA (0.47) ALDH1A1HTR7
SCHEMBL5150098 0.71 MEN1 (0.57) MEN1KMT2AMAPTHPGDPOLB

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
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed