SCHEMBL8870177

SCHEMBL8870177

CCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(OC)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
P4HTM Q9NXG6 3/20 0.45
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL8868431 0.94 KMT2A (0.43) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8869549 0.90 P4HTM (0.50) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL9140185 0.88 P4HTM (0.48) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8869544 0.88 ALDH1A1 (0.49) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8868434 0.87 KMT2A (0.45) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8870184 0.86 KMT2A (0.46) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8869538 0.85 KMT2A (0.55) KMT2AMEN1P4HTMMMP8MMP12
SCHEMBL8869220 0.85 P4HTM (0.54) KMT2AMEN1P4HTMALDH1A1GAA
SCHEMBL8869618 0.85 P4HTM (0.48) KMT2AMEN1P4HTMPOLBRAB9A
SCHEMBL8867821 0.84 CXCR1 (0.40) KMT2AMEN1P4HTMPOLB

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