SCHEMBL9696320

SCHEMBL9696320

C=CCO/N=N/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ USP8 P40818 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL377077 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRHSD17B10MAPK1
SCHEMBL28787888 0.72 TSHR (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL9696332 0.72 CHRNA7 (0.49) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL2855783 0.72 CHRNA7 (0.49) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL28698643 0.71 TSHR (0.44) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL14690479 0.71 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL7718084 0.70 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL7718086 0.70 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL2855782 0.69 MEN1 (0.64) ALDH1A1MAPK1MEN1KMT2APKM
SCHEMBL6381569 0.69 MEN1 (0.44) ALDH1A1TSHRHSD17B10MAPK1MEN1

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-1992000547-A1 POLYMERIC COMPOSITIONS BRITISH TELECOMMUNICATIONS PUBLIC LIMITED COMPANY (GB) 1992-01-09 — — WO disclosed
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