SCHEMBL8167167

SCHEMBL8167167

Nc1cc(Cl)nc(SCC=CC(=O)N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8167164 1.00 HPGD (0.50) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL27480959 0.99 HPGD (0.52) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL27480960 0.99 HPGD (0.52) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL27482109 0.90 PLAU (0.41) HPGDUSP2KMT2ARAB9ANPC1
SCHEMBL27482110 0.90 PLAU (0.41) HPGDUSP2KMT2ARAB9ANPC1
SCHEMBL8179170 0.84 HPGD (0.48) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL8179176 0.84 HPGD (0.48) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL8133352 0.83 HPGD (0.50) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL8177970 0.83 HPGD (0.50) HPGDUSP2ALOX15ALDH1A1MEN1
SCHEMBL6637459 0.77 TP53 (0.41) HPGDALDH1A1MEN1CYP3A4CYP2C19

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-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US claimed