SCHEMBL17630076

SCHEMBL17630076

CCOCCCCc1cc(C#N)ccc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
S1PR1 P21453 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
KDM1A O60341 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17630007 0.96 HRH2 (0.36) HRH2HRH1TSHRHSD17B10HPGD
SCHEMBL17629919 0.80 KDM1A (0.37) KDM1ACYP11B1CYP11B2
SCHEMBL17629889 0.77 TSHR (0.34) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL17629868 0.77 TLR7 (0.34) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL17629950 0.75 PDE2A (0.48) TSHRHSD17B10CYP19A1CYP11B1CYP11B2
SCHEMBL17672927 0.73 SLC6A4 (0.33) TSHRHSD17B10SMN1; SMN2
SCHEMBL4314504 0.72 TSHR (0.44) TSHRHSD17B10ALDH1A1KDM1ACYP11B2
SCHEMBL17629925 0.72 SLC6A4 (0.34) TSHRHSD17B10RAB9ASMN1; SMN2
SCHEMBL4455682 0.72 TSHR (0.48) TSHRHSD17B10HPGDGAAALDH1A1
SCHEMBL17630083 0.72 CYP2D6 (0.42) L3MBTL1

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-2016046782-A1 IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-03-31 WO disclosed