SCHEMBL7870550

SCHEMBL7870550

CC(C)C(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)COc3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PTPN1 P18031 1/20 0.44
SGMS1 Q86VZ5 5/20 0.42
BCL2L1 Q07817 3/20 0.41
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL7869424 0.92 POLB (0.47) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7870440 0.91 PTPN1 (0.49) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7862849 0.91 CA2 (0.43) BCL2L1MCL1ALDH1A1SMN1; SMN2OPRM1
SCHEMBL8867954 0.89 POLB (0.47) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7867954 0.88 POLB (0.50) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7867901 0.87 EGFR (0.39) LMNAGAAOPRM1OPRD1
SCHEMBL9018028 0.86 PTPN1 (0.53) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7867688 0.86 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL9018186 0.85 POLB (0.51) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7874497 0.84 MAPT (0.47) BCL2L1MCL1ALDH1A1LMNASMN1; SMN2

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-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed