SCHEMBL5141391

SCHEMBL5141391

Cc1c(N)sc(C(=O)O)c1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.39
PLK3 Q9H4B4 5/20 0.38
CDK2 P24941 1/20 0.38
IKBKE Q14164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
GRM6 O15303 1/20 0.36
CYP2C9 P11712 1/20 0.35
CISD2 Q8N5K1 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL5249932 1.00 PLK1 (0.39) PLK1PLK3CDK2IKBKEALDH1A1
SCHEMBL3156557 0.81 PLK1 (0.35) PLK1PLK3CDK2IKBKEALDH1A1
SCHEMBL2987855 0.79 PLK1 (0.48) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL2504743 0.78 KMT2A (0.44) PLK1PLK3CDK2IKBKEALDH1A1
SCHEMBL2505199 0.74 PLK1 (0.59) PLK1
SCHEMBL2502714 0.74 PLK1 (0.35) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL5265312 0.72 PLK1 (0.47) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL5141390 0.72 MCL1 (0.38) ALDH1A1LMNAGAAGRM6HPGD
SCHEMBL2500942 0.71 PLK1 (0.36) PLK1PLK3CDK2IKBKEGRM6
SCHEMBL2494455 0.71 PLK1 (0.35) PLK1PLK3CDK2IKBKECYP2C9

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
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed