SCHEMBL30728601

SCHEMBL30728601

O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR174 Q9BXC1 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 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
SCHEMBL1055547 0.90 KDM4E (0.53) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1058181 0.86 GPR174 (0.47) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3612069 0.86 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL30887932 0.83 MAPT (0.41) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13327253 0.80 HTT (0.44) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1055545 0.80 ITGB2 (0.39) KDM4EMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL12281700 0.78 KDM4E (0.48) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4681936 0.78 RXFP1 (0.50) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3039451 0.77 KCNJ1 (0.53) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4681933 0.77 RXFP1 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240030030-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-25 US disclosed
US-20240021429-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-18 US disclosed