SCHEMBL5812586

SCHEMBL5812586

CCOC(=O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
MAPK9 P45984 1/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 1/20 0.40
CDK2 P24941 3/20 0.40
CCNA2 P20248 1/20 0.40
MAPK3 P27361 1/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
EGFR P00533 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5819812 0.99 DGAT1 (0.47) DGAT1MAPK9MAPK1USP2LMNA
SCHEMBL5819134 0.96 DGAT1 (0.48) DGAT1MAPK1USP2LMNAHTT
SCHEMBL5818194 0.91 DGAT1 (0.48) DGAT1KCNH2CDK2CDK1CDK4
SCHEMBL5819128 0.91 DGAT1 (0.49) DGAT1KCNH2CDK2CDK1CDK4
SCHEMBL5814694 0.90 DGAT1 (0.48) DGAT1KCNH2CDK2CDK1CDK4
SCHEMBL5819853 0.90 DGAT1 (0.49) DGAT1MAPK9KCNH2CDK2CDK1
SCHEMBL5818450 0.89 DGAT1 (0.51) DGAT1MAPK9MAPK1KCNH2CDK2
SCHEMBL5815323 0.89 DGAT1 (0.52) DGAT1MAPK9MAPK1LMNAHTT
SCHEMBL5818911 0.87 DGAT1 (0.49) DGAT1KCNH2CDK2CDK1CDK4
SCHEMBL5812861 0.87 DGAT1 (0.51) DGAT1MAPK9KCNH2CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed