SCHEMBL27469247

SCHEMBL27469247

CC(C)(CBr)c1ccc(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ ALOX15 P16050 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HSP90AA1 P07900 4/20 0.38
▸ HIF1A Q16665 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ HSPA5 P11021 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38

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
SCHEMBL11708960 0.81 TYR (0.45) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL2789834 0.78 ALDH1A1 (0.54) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL11210466 0.76 CYP3A4 (0.43) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL21302111 0.75 HSD17B10 (0.46) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL8392107 0.75 CYP3A4 (0.46) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL10662295 0.70 HSD17B10 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL11317922 0.70 HSD17B10 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL11379540 0.69 MEN1 (0.48) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL25039097 0.68 MEN1 (0.41) CYP3A4HSD17B10ALDH1A1SMN1; SMN2ALOX15
SCHEMBL30553151 0.68 ALOX15 (0.44) CYP3A4HSD17B10ALDH1A1TSHRTDP1

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-1076449-A Imidazopyridine derivatives and medicament JAPAN NEW MEDICINALLY CO LTD 1993-09-22 — — CN disclosed
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