SCHEMBL5768757

SCHEMBL5768757

CS(=O)(=O)N1CCC(N2C(=O)c3c(c(O)c4nccnc4c3O)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ CCNE1 P24864 7/20 0.36
▸ CDK2 P24941 7/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK6 Q00534 1/20 0.33

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
SCHEMBL6101777 0.83 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL6099917 0.77 JAK1 (0.41) LMNAJAK1JAK2CCNE1CDK2
SCHEMBL5766281 0.76 PARP1 (0.36) ALDH1A1MAPT
SCHEMBL5768949 0.73 L3MBTL3 (0.50) SMN1; SMN2
SCHEMBL5767184 0.73 OPRL1 (0.49) TP53
SCHEMBL5769747 0.68 ALDH1A1 (0.52) LMNAJAK3ALDH1A1SMN1; SMN2TP53
SCHEMBL28830816 0.60 LMNA (0.41) LMNAALDH1A1
SCHEMBL28257968 0.60 IDO1 (0.43) LMNAJAK1JAK2
SCHEMBL19331297 0.59 POLB (0.39) ALDH1A1SMN1; SMN2
SCHEMBL23863015 0.59 IRAK4 (0.41) LMNAJAK1JAK2CCNE1CDK2

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-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 — — EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 — — WO disclosed
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