SCHEMBL20388038

SCHEMBL20388038

CC(C)(C)Nc1ccc(N=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TSHR P16473 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ PKM P14618 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ POLB P06746 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 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
SCHEMBL1246810 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL4603900 0.80 IDO1 (0.39) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL684016 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL25607273 0.74 CA12 (0.50) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL537959 0.73 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL9877146 0.73 ADRA2A (0.57) ALDH1A1HSD17B10TSHRCYP3A4HTT
Hydrochloric Acid SCHEMBL11744405 0.71 ADRA2A (0.55) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL28877110 0.71 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL234461 0.71 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL5983235 0.70 NPC1 (0.48) ALDH1A1TSHRHTTTDP1KMT2A

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
US-20180200680-A1 Composite Membrane and Method of Fabricating the Same CO2 M-TECH CO., LTD. (JP) 2018-07-19 — — US disclosed
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