SCHEMBL10690904

SCHEMBL10690904

COc1ccc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ALPL P05186 2/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
KCNMA1 Q12791 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
BRPF1 P55201 2/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
HIF1A Q16665 1/20 0.34
ABCB1 P08183 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
SCHEMBL10693184 0.87 PDE4D (0.36) PDE4DPOLBMEN1ALDH1A1KMT2A
SCHEMBL10690737 0.87 PDE4D (0.36) PDE4DPOLBMEN1ALDH1A1KMT2A
SCHEMBL9501827 0.82 POLB (0.40) PDE4DPOLBMEN1ALDH1A1KMT2A
SCHEMBL9501851 0.78 MPO (0.48) MEN1ALDH1A1KMT2AALPLNPC1
SCHEMBL10690439 0.78 NPC1 (0.47) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL9501844 0.77 PLG (0.43) MEN1ALDH1A1KMT2AALPLNPC1
SCHEMBL11107256 0.77 KCNMA1 (0.46) POLBALPLNPC1RAB9AKCNMA1
SCHEMBL9501813 0.77 HTT (0.45) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL9501510 0.76 MPO (0.41) ALDH1A1ALPLNPC1RAB9AALPI
SCHEMBL11110352 0.76 POLB (0.57) POLBMEN1ALDH1A1KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US claimed
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed