SCHEMBL8869609

SCHEMBL8869609

O=C(CC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OCc3ccccc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTR1A P08908 1/20 0.44
NFKB1 P19838 1/20 0.44
CNR1 P21554 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
BLM P54132 1/20 0.44
P4HTM Q9NXG6 2/20 0.42
BCL2L1 Q07817 4/20 0.39
MCL1 Q07820 4/20 0.39
PPARG P37231 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA2 P00918 1/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL8868512 0.90 MAPT (0.47) MAPTCYP3A4CYP2C9TSHRSMN1; SMN2
SCHEMBL8869748 0.89 LMNA (0.49) EPHX2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8868365 0.89 CYP3A4 (0.46) EPHX2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8868281 0.88 LMNA (0.49) EPHX2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8869285 0.88 P4HTM (0.47) MAPTSMN1; SMN2LMNAP4HTMBCL2L1
SCHEMBL8868297 0.88 P4HTM (0.47) MAPTSMN1; SMN2LMNAP4HTMBCL2L1
SCHEMBL8868372 0.87 CYP3A4 (0.47) EPHX2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8867950 0.86 P4HTM (0.48) MAPTSMN1; SMN2LMNAP4HTMBCL2L1
SCHEMBL8869506 0.86 P4HTM (0.50) MAPTSMN1; SMN2P4HTMBCL2L1MCL1
SCHEMBL8868703 0.86 POLB (0.49) LMNAP4HTMBCL2L1MCL1MEN1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed