SCHEMBL17597543

SCHEMBL17597543

O=C(Cn1cnc2cc(Cl)c(Cl)cc21)c1c[nH]c2cc(Oc3cnccn3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PRKAB2 O43741 4/20 0.37
▸ PRKAG1 P54619 4/20 0.37
▸ PRKAA2 P54646 4/20 0.37
▸ PRKAA1 Q13131 4/20 0.37
▸ PRKAG3 Q9UGI9 4/20 0.37
▸ PRKAG2 Q9UGJ0 4/20 0.37
▸ PRKAB1 Q9Y478 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ EGFR P00533 2/20 0.35

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
SCHEMBL17597319 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17423736 0.81 MAPT (0.59) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597733 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597961 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597792 0.77 ALDH1A1 (0.46) ALDH1A1LMNAEGFRKDRTEK
SCHEMBL17597788 0.76 PRKAB2 (0.41) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597515 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597114 0.76 MAPT (0.40) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597396 0.76 PRKAB2 (0.40) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL17597318 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4ENPC1

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-2016040764-A1 CARBONYL LINKED BICYCLIC HETEROARYL N-BENZIMIDAZOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
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