SCHEMBL26436295

SCHEMBL26436295

COC(=O)c1cccc(CNc2cccc(CN)c2OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.60
▸ HIF1A Q16665 1/20 0.51
▸ PPM1D O15297 3/20 0.49
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ SLC7A5 Q01650 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.45
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ MPO P05164 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EGFR P00533 1/20 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
SCHEMBL14420824 0.82 LOXL2 (0.58) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL15761754 0.80 HIF1A (0.58) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL15761746 0.78 HIF1A (0.60) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL15755934 0.77 HIF1A (0.58) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL29451790 0.77 LOXL2 (1.00) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL307892 0.77 LOXL2 (1.00) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL15761766 0.76 HIF1A (0.54) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL1180032 0.76 LOXL2 (0.53) LOXL2HIF1APPM1DCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL307891 0.75 LOXL2 (0.97) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
Hydrochloric Acid SCHEMBL307062 0.75 LOXL2 (0.97) LOXL2HIF1ACYP4F2CYP4A11SLC7A5

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
WO-2023069770-A1 NOVEL HOST-TARGETED PAN-RESPIRATORY ANTIVIRAL SMALL MOLECULE THERAPEUTICS PROSETTA BIOSCIENCES, INC. (US) 2023-04-27 — — WO disclosed
Send feedback