SCHEMBL28506673

SCHEMBL28506673

NC(CO)c1ccc(N=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ANPEP P15144 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL1444985 0.82 ANPEP (0.41) ANPEPTSHRHIF1ATDP1SLC6A4
SCHEMBL11064991 0.79 SLC6A4 (0.52) ALDH1A1HSD17B10ANPEPTSHRTP53
SCHEMBL14213996 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL19941414 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL11064630 0.76 SLC2A1 (0.39) ALDH1A1HSD17B10ANPEPTSHRTP53
SCHEMBL25354683 0.73 TAAR1 (0.48) ALDH1A1HSD17B10TSHRHIF1ACYP3A4
SCHEMBL10864211 0.73 MEN1 (0.40) ALDH1A1HSD17B10ANPEPTSHRTP53
SCHEMBL9682953 0.73 TAAR1 (0.48) ALDH1A1HSD17B10TSHRHIF1ACYP3A4
SCHEMBL3041323 0.73 TAAR1 (0.48) ALDH1A1HSD17B10TSHRHIF1ACYP3A4
SCHEMBL12312062 0.71 ADRB2 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1

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-107108818-B Particles for electrophoretic displays 默克专利股份有限公司 2021-01-01 — — CN disclosed
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