SCHEMBL8869573

SCHEMBL8869573

O=C(NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1)c1ccc(C(=O)NCCO)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
BLM P54132 2/20 0.56
HTR1A P08908 1/20 0.56
NFKB1 P19838 1/20 0.56
CNR1 P21554 1/20 0.56
ADRA1A P35348 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
P4HTM Q9NXG6 2/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL8869656 0.91 MAPT (0.56) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8868909 0.91 MAPT (0.53) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL9140536 0.91 P4HTM (0.55) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8869420 0.90 SMN1; SMN2 (0.46) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8868905 0.89 MAPT (0.53) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8867649 0.89 MAPT (0.53) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL9141318 0.88 MAPT (0.54) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL7870549 0.88 MAPT (0.47) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8869153 0.88 MAPT (0.52) MAPTTSHRLMNACYP3A4CYP2C9
SCHEMBL8869050 0.87 SMN1; SMN2 (0.49) MAPTTSHRLMNACYP3A4CYP2C9

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