SCHEMBL7869424

SCHEMBL7869424

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.45
SGMS1 Q86VZ5 5/20 0.44
BCL2L1 Q07817 3/20 0.42
MCL1 Q07820 3/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
ACACB O00763 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL7870440 0.93 PTPN1 (0.49) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7870550 0.92 POLB (0.45) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7862840 0.91 CA1 (0.45) BCL2L1MCL1ALDH1A1GAASMN1; SMN2
SCHEMBL7871678 0.91 ALDH1A1 (0.41) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7869440 0.90 MEN1 (0.45) BCL2L1MCL1LMNASMN1; SMN2OPRM1
SCHEMBL7867954 0.90 POLB (0.50) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL8870006 0.89 POLB (0.48) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL7862837 0.88 POLB (0.43) POLBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7862714 0.87 ALDH1A1 (0.45) POLBALDH1A1LMNAGAAHPGD
SCHEMBL9018028 0.86 PTPN1 (0.53) POLBPTPN1SGMS1BCL2L1MCL1

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