SCHEMBL8868623

SCHEMBL8868623

O=C(CC1CCCCC1)NCCc1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CNR1 P21554 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
BLM P54132 1/20 0.42
P4HTM Q9NXG6 3/20 0.42
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HIF1A Q16665 2/20 0.39
HSD11B1 P28845 3/20 0.39
NPC1 O15118 2/20 0.37

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
SCHEMBL8868686 0.92 EPHX2 (0.44) EPHX2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL9139607 0.92 P4HTM (0.53) EPHX2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL8869358 0.90 EPHX2 (0.43) EPHX2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL9139947 0.89 EPHX2 (0.46) EPHX2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL8869420 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNACYP3A4HTR1A
SCHEMBL7867707 0.88 EPHX2 (0.46) EPHX2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL8868901 0.85 P4HTM (0.51) MAPTSMN1; SMN2LMNAP4HTMALDH1A1
SCHEMBL8868628 0.84 P4HTM (0.50) MAPTSMN1; SMN2LMNAP4HTMALDH1A1
SCHEMBL8869704 0.84 P4HTM (0.45) MAPTSMN1; SMN2LMNAP4HTMALDH1A1
SCHEMBL8870254 0.83 P4HTM (0.48) MAPTSMN1; SMN2LMNAP4HTMALDH1A1

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