SCHEMBL2668616

SCHEMBL2668616

O=C(O)CSc1cnc(NC(=O)CCCCc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC2 Q92769 5/20 0.48
▸ CCNE1 P24864 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CCNE2 O96020 2/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC3 O15379 4/20 0.44
▸ HDAC4 P56524 4/20 0.44
▸ HDAC7 Q8WUI4 4/20 0.44
▸ HDAC10 Q969S8 4/20 0.44
▸ HDAC11 Q96DB2 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC9 Q9UKV0 4/20 0.44
▸ HDAC5 Q9UQL6 4/20 0.44
▸ CCND3 P30281 3/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ STK17B O94768 1/20 0.41
▸ CDK5 Q00535 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40

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
SCHEMBL2669345 0.88 HDAC1 (0.47) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL2669487 0.86 HDAC1 (0.47) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL9071910 0.84 CCNE1 (0.47) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL2668621 0.81 GLS (0.46) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL9071951 0.79 KMT2A (0.50) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL2668627 0.79 MAOB (0.46) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL9071934 0.77 MAPK10 (0.54) HDAC1HDAC2CCNE1CDK2CCNE2
SCHEMBL12204191 0.77 PPARG (0.41) CCNE1CDK2CCNE2STK17BCDK5
SCHEMBL16085538 0.76 LMNA (0.53) CCNE1CDK2CDK5
SCHEMBL1240442 0.76 CDK2 (0.41) CCNE1CDK2CCNE2STK17BCDK5

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-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — WO disclosed
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