SCHEMBL2432447

SCHEMBL2432447

COC(=O)c1sc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1N(CC1CC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 3/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ NR1H4 Q96RI1 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
SCHEMBL2432446 1.00 KDM4E (0.38) KDM4EHTTATMMAPTTP53
SCHEMBL3841003 0.88 CYP2E1 (0.35) KDM4EHTTATMCYP17A1BRD4
SCHEMBL2429066 0.85 KDM4E (0.39) KDM4EHTTATMMAPTTP53
SCHEMBL2429067 0.85 KDM4E (0.39) KDM4EHTTATMMAPTTP53
SCHEMBL2433936 0.84 MAPT (0.43) KDM4EHTTATMMAPTTP53
SCHEMBL2433933 0.84 MAPT (0.43) KDM4EHTTATMMAPTTP53
SCHEMBL2436040 0.83 PTPN1 (0.45) KDM4EHTTATMMAPTTP53
SCHEMBL2432217 0.83 KDM4E (0.36) KDM4EHTTATMMAPTTP53
SCHEMBL3841046 0.83 KDM4E (0.36) KDM4EHTTATMMAPTTP53
SCHEMBL2436043 0.83 PTPN1 (0.45) KDM4EHTTATMMAPTTP53

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
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 — — EP disclosed
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