SCHEMBL2667482

SCHEMBL2667482

O=C(O)CSc1cnc(NC(=O)NC(=O)CCCC2CCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 8/20 0.44
▸ CCNE1 P24864 8/20 0.44
▸ CDK2 P24941 8/20 0.44
▸ CCNB2 O95067 4/20 0.41
▸ CDK1 P06493 4/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ CCNB1 P14635 4/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CCNB3 Q8WWL7 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC7 Q8WUI4 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 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
SCHEMBL2667657 0.99 CDK2 (0.46) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9071847 0.93 CCNE2 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2667689 0.81 CCNE1 (0.46) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9072844 0.79 CCNE1 (0.62) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2666139 0.77 RAB9A (0.50) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12384824 0.77 CCNE1 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12384841 0.76 CDK2 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2656562 0.76 CDK2 (0.42) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2656567 0.76 CDK2 (0.42) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12384837 0.75 CDK2 (0.42) CCNE2CCNE1CDK2CCNB2CDK1

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-2007006761-A1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — WO disclosed
Send feedback