SCHEMBL17597511

SCHEMBL17597511

O=C(Cn1cnc2cc(Cl)c(Cl)cc21)c1n[nH]c2cc(Oc3cccnc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ METAP2 P50579 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA3 P07451 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA6 P23280 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA13 Q8N1Q1 2/20 0.34
▸ CA14 Q9ULX7 2/20 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
SCHEMBL17597319 0.85 ALDH1A1 (0.43) FFAR4MAPTALDH1A1
SCHEMBL17597287 0.80 PPARG (0.40) DRD2DRD3FFAR4METAP2PPARG
SCHEMBL17597419 0.77 CA12 (0.37) FFAR4METAP2PPARGGRM5CA12
SCHEMBL17597937 0.77 PPARG (0.34) FFAR4METAP2EGLN2EGLN1PPARG
SCHEMBL17432054 0.77 LMNA (0.43) DRD2DRD3FFAR4METAP2EGLN2
SCHEMBL17597733 0.76 ALDH1A1 (0.43) DRD2DRD3MAPTGRM5ALDH1A1
Bromide SCHEMBL17423756 0.76 LMNA (0.43) DRD2DRD3FFAR4METAP2EGLN2
SCHEMBL17597779 0.75 CA12 (0.38) FFAR4METAP2PPARGCA12CA1
SCHEMBL17597543 0.75 ALDH1A1 (0.41) MAPTCA12CA1CA2CA3
SCHEMBL17597515 0.75 ALDH1A1 (0.43) FFAR4MAPTALDH1A1

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
Send feedback