SCHEMBL19026763

SCHEMBL19026763

CNCNc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.70
▸ CA9 Q16790 6/20 0.70
▸ CA4 P22748 1/20 0.70
▸ ALDH1A1 P00352 8/20 0.61
▸ CA1 P00915 4/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALB P02768 5/20 0.61
▸ MAOB P27338 2/20 0.61
▸ KDM4E B2RXH2 7/20 0.58
▸ HPGD P15428 6/20 0.58
▸ HSD17B10 Q99714 5/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ GLA P06280 4/20 0.56
▸ GAA P10253 4/20 0.56
▸ PKM P14618 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL1034943 0.86 CA12 (0.72) CA12CA9CA4ALDH1A1CA1
SCHEMBL29673209 0.86 CA12 (0.72) CA12CA9CA4ALDH1A1CA1
SCHEMBL3361958 0.84 ALDH1A1 (0.68) CA12CA9CA4ALDH1A1CA1
SCHEMBL24589798 0.84 CA12 (0.68) CA12CA9CA4ALDH1A1CA1
SCHEMBL22501587 0.82 CA12 (0.75) CA12CA9CA4ALDH1A1CA1
SCHEMBL8620142 0.82 CA12 (0.67) CA12CA9CA4ALDH1A1CA1
SCHEMBL24589795 0.82 CA12 (1.00) CA12CA9CA4ALDH1A1CA1
SCHEMBL22501750 0.81 CA12 (0.65) CA12CA9CA4ALDH1A1CA1
SCHEMBL24589528 0.81 CA12 (0.65) CA12CA9CA4ALDH1A1CA1
SCHEMBL22501643 0.81 CA12 (0.65) CA12CA9CA4ALDH1A1CA1

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-2017106312-A1 METHODS OF MODULATING LEVELS OF IL-6 AND PD-L1 DREXEL UNIVERSITY (US) 2017-06-22 — — WO disclosed
Send feedback