SCHEMBL28249128

SCHEMBL28249128

C[CH]c1ccc(N=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 7/20 0.33
▸ CA1 P00915 5/20 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
SCHEMBL24434964 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL12855366 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL2187090 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL234461 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL1109066 0.76 CYP2A6 (0.48) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL21994058 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL13823021 0.74 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL13100599 0.73 NFE2L2 (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTCA2
SCHEMBL26222203 0.72 KMT2A (0.56) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL18657175 0.70 ALDH1A1 (0.39) 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-105829485-B Photocurable composition with adhesiveness 思美定株式会社 2018-10-12 — — CN disclosed
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