SCHEMBL7874497

SCHEMBL7874497

CC(C)C(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
EPHX2 P34913 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GABRA5 P31644 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 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
SCHEMBL7870590 0.92 MAPT (0.49) MAPTEPHX2MEN1KMT2AGABRA5
SCHEMBL7874555 0.91 MAPT (0.51) MAPTEPHX2MEN1KMT2AGABRA5
SCHEMBL7867688 0.91 SMN1; SMN2 (0.46) MAPTMEN1KMT2ACA12CA1
SCHEMBL7867901 0.90 EGFR (0.39) EPHX2MEN1KMT2ACA1CA2
SCHEMBL8868128 0.89 MAPT (0.49) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL7869433 0.87 MAPT (0.50) MAPTEPHX2MEN1KMT2AGABRA5
SCHEMBL7870592 0.87 MAPT (0.50) MAPTEPHX2MEN1KMT2AGABRA5
SCHEMBL7862849 0.86 CA2 (0.43) EPHX2BCL2L1MCL1CA12CA1
SCHEMBL9018049 0.85 MAPT (0.54) MAPTEPHX2MEN1KMT2ABCL2L1
SCHEMBL9018181 0.85 MAPT (0.54) MAPTEPHX2MEN1KMT2ABCL2L1

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