SCHEMBL29169702

SCHEMBL29169702

N=NOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TRPA1 O75762 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10973052 0.80 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL16005783 0.79 TSHR (0.57) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL3255086 0.77 TSHR (0.55) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL8548436 0.76 IDO1 (0.52) IDO1AGXTRAB9ANPC1MAOB
SCHEMBL1425850 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL4767507 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL214681 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL14700061 0.74 CYP1A2 (0.48) AGXTRAB9ASLC6A2SLC6A3CYP1A2
Ammonia Solution, Strong SCHEMBL5804107 0.73 TSHR (0.50) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL2045290 0.73 TSHR (0.50) TSHRIDO1AGXTALDH1A1RAB9A

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-117480008-A Electro-grafted membranes for DNA synthesis 金斯瑞美国有限公司 2024-01-30 CN disclosed