SCHEMBL9725472

SCHEMBL9725472

CNCCN(C)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KAT2B Q92831 3/20 0.43
GRK6 P43250 2/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.39
MAPT P10636 2/20 0.39
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29740661 0.88 TSHR (0.56) TSHRCYP3A4KDM4EALDH1A1KAT2B
SCHEMBL9725392 0.81 MAPT (0.46) TSHRCYP3A4KDM4EALDH1A1GAA
SCHEMBL6013576 0.81 ALDH1A1 (0.43) TSHRKDM4EALDH1A1KAT2BHCAR3
SCHEMBL22942130 0.73 KMT2A (0.41) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9725444 0.73 PIK3CD (0.47) KDM4EALDH1A1KAT2BHCAR3MAPT
SCHEMBL22510151 0.72 ALDH1A1 (0.45) CYP3A4KDM4EALDH1A1GAAHCAR3
SCHEMBL9725432 0.72 SMN1; SMN2 (0.61) KDM4EALDH1A1GAAHCAR3MAPT
SCHEMBL3314688 0.71 LMNA (0.42) ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL4764057 0.71 ALDH1A1 (0.45) KDM4EALDH1A1GAAHCAR3MAPT
SCHEMBL26119562 0.71 AKR1B1 (0.55) TSHRCYP3A4KDM4EALDH1A1KAT2B

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