SCHEMBL9313658

SCHEMBL9313658

C=C(C)C(=O)OCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
AR P10275 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ABCB1 P08183 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR3C1 P04150 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL12895484 0.88 ATM (0.46) ALDH1A1LMNAKMT2AMAPK1MEN1
SCHEMBL9312727 0.87 CRHBP (0.46) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL7096253 0.85 ATM (0.49) ALDH1A1LMNAKMT2AMAPK1MEN1
SCHEMBL9312191 0.84 FAAH (0.45) ACHECRHBPCRHR2ALDH1A1LMNA
SCHEMBL16311864 0.84 ATM (0.43) ACHEARALDH1A1LMNASMN1; SMN2
SCHEMBL9655690 0.82 PPARG (0.46) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8614034 0.82 LSS (0.43) ALDH1A1LMNAKMT2AMAPK1MEN1
SCHEMBL625611 0.82 MMP14 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPK1TDP1
SCHEMBL625610 0.82 MMP14 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPK1TDP1
SCHEMBL9551059 0.80 MAPT (0.52) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2

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-5334710-A Monomeric or polymeric compounds SANDOZ LTD. (CH) 1994-08-02 US disclosed