SCHEMBL8868205

SCHEMBL8868205

CCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC(C)C)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
P4HTM Q9NXG6 2/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.38
GAA P10253 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
SCHEMBL9140187 0.91 ALDH1A1 (0.48) ALDH1A1P4HTMPOLBLMNACYP3A4
SCHEMBL8868346 0.90 P4HTM (0.45) ALDH1A1P4HTMPOLBLMNACYP3A4
SCHEMBL8868202 0.89 ALDH1A1 (0.45) ALDH1A1P4HTMPOLBLMNACYP3A4
SCHEMBL8868379 0.89 P4HTM (0.46) ALDH1A1P4HTMPOLBLMNACYP3A4
SCHEMBL8868677 0.88 MAPT (0.48) P4HTMMAPTSMN1; SMN2RAB9AEGLN1
SCHEMBL8869237 0.87 PPARA (0.50) ALDH1A1P4HTMLMNACYP3A4HTR1A
SCHEMBL8868754 0.87 PPARA (0.48) P4HTMPOLBLMNACYP3A4HTR1A
SCHEMBL8869489 0.87 PPARA (0.50) ALDH1A1P4HTMLMNACYP3A4HTR1A
SCHEMBL8869542 0.87 POLB (0.49) ALDH1A1P4HTMPOLBLMNAGAA
SCHEMBL8869129 0.87 MAPT (0.49) P4HTMLMNACYP3A4HTR1AMAPT

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