SCHEMBL28790901

SCHEMBL28790901

Cn1nnc(-c2cccc(OC(N)=O)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL30967607 0.80 NPC1 (0.47) MAPK1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13846213 0.80 MAPK1 (0.61) MAPK1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4751160 0.78 FAAH (0.61)
SCHEMBL13846214 0.77 MAPK1 (0.49) MAPK1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL8883343 0.76 CASR (0.48) MAPK1MAPTTSHR
SCHEMBL25254317 0.76 SMN1; SMN2 (0.62) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30497166 0.76 SMN1; SMN2 (0.62) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30685428 0.75 KCNH2 (0.45) MAPK1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4328141 0.75 KMT2A (0.53) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL926466 0.73 LMNA (0.45) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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-110494417-B Production of N-substituted aromatic hydroxylamines 索尔维亚斯股份公司 2022-07-15 CN disclosed