SCHEMBL7433408

SCHEMBL7433408

CC1=CC(c2cccc([N+](=O)[O-])c2)C=C(O)N1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
CACNA1F O60840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
RAB9A P51151 1/20 0.41
SLC9A1 P19634 1/20 0.40
TP53 P04637 1/20 0.40
GUSB P08236 1/20 0.39

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
SCHEMBL2781022 0.77 CACNA1C (0.48) MEN1KMT2ALMNATSHRPOLB
SCHEMBL3118873 0.76 CYP1A2 (0.44) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL30044577 0.75 TSHR (0.50) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL7888022 0.75 TSHR (0.50) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9668516 0.73 LMNA (0.44) LMNAALDH1A1TSHRATMACHE
Hydrochloric Acid SCHEMBL28628233 0.73 TSHR (0.49) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL10656803 0.72 CACNA1F (0.53) MEN1KMT2ALMNATSHRATM
SCHEMBL7490712 0.72 LMNA (0.45) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL7417203 0.72 LMNA (0.45) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL10514938 0.71 CACNA1C (0.45) MEN1KMT2ALMNATSHRPOLB

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
EP-0301133-A2 Long acting formulation SYNTEX (U.S.A.) INC. (US) 1989-02-01 EP disclosed