SCHEMBL9725432

SCHEMBL9725432

CNCCN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 5/20 0.61
HCAR3 P49019 4/20 0.58
PARP1 P09874 1/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL30503507 0.80 HCAR3 (0.74) SMN1; SMN2MAPTHCAR3PARP1LMNA
SCHEMBL9725444 0.76 PIK3CD (0.47) SMN1; SMN2MAPTHCAR3LMNAHTT
SCHEMBL6013576 0.76 ALDH1A1 (0.43) HCAR3KMT2AALDH1A1KDM4EMEN1
SCHEMBL4764057 0.74 ALDH1A1 (0.45) SMN1; SMN2MAPTHCAR3LMNAHTT
SCHEMBL9725429 0.73 PKM (0.65) SMN1; SMN2MAPTHCAR3LMNAHTT
SCHEMBL19436464 0.73 PKM (0.65) SMN1; SMN2MAPTHCAR3LMNAHTT
SCHEMBL4397960 0.73 MAPT (0.53) SMN1; SMN2MAPTHCAR3PARP1LMNA
SCHEMBL9725472 0.72 TSHR (0.47) MAPTHCAR3HTTKMT2AALDH1A1
SCHEMBL10665446 0.71 HCAR3 (0.74) SMN1; SMN2MAPTHCAR3PARP1LMNA
SCHEMBL31217479 0.71 MAPT (0.48) SMN1; SMN2MAPTHCAR3PARP1LMNA

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-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed