SCHEMBL28126392

SCHEMBL28126392

Cc1c(O)cc(Cl)c(Br)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.42
HPGD P15428 6/20 0.42
TSHR P16473 5/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 4/20 0.39
CYP3A4 P08684 6/20 0.39
HSP90AA1 P07900 2/20 0.39
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
ALOX15 P16050 3/20 0.34
MAPT P10636 3/20 0.34
ALOX12 P18054 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33

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
SCHEMBL26607271 0.82 TSHR (0.36) HSD17B10HPGDTSHRACHELMNA
SCHEMBL10820981 0.79 HSD17B10 (0.46) HSD17B10HPGDTSHRACHELMNA
SCHEMBL658795 0.77 ACHE (0.43) HSD17B10HPGDACHELMNACYP3A4
SCHEMBL25817282 0.77 CYP1A2 (0.34) LMNACYP3A4MAPT
SCHEMBL6678885 0.77 HSD17B10 (0.43) HSD17B10HPGDTSHRACHECYP3A4
SCHEMBL11384008 0.77 HSD17B10 (0.52) HSD17B10HPGDTSHRACHELMNA
SCHEMBL27584888 0.77 ACHE (0.43) HPGDTSHRACHELMNACYP3A4
SCHEMBL11398028 0.74 HSD17B10 (0.46) HSD17B10HPGDTSHRLMNACYP3A4
SCHEMBL23226962 0.73 CYP3A4 (0.42) HSD17B10HPGDTSHRLMNACYP3A4
SCHEMBL22265090 0.73 ALDH1A1 (0.41) HSD17B10HPGDTSHRACHELMNA

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
CN-106526030-A Analysis method of bromine content in industrial liquid chlorine 大连百傲化学股份有限公司 2017-03-22 CN disclosed