SCHEMBL27100754

SCHEMBL27100754

CC1(C)c2cc(C(=O)c3ccccc3)ccc2NC12C=Cc1ccc([N+](=O)[O-])cc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
TDP2 O95551 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GAA P10253 1/20 0.36
VCAM1 P19320 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SRD5A2 P31213 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL27100749 0.93 MEN1 (0.47) MEN1KMT2AGFERMAPK1POLB
SCHEMBL27100756 0.91 MEN1 (0.51) MEN1KMT2AGFERMAPK1POLB
SCHEMBL27100747 0.86 ALDH1A1 (0.34) MAPK1POLBALDH1A1MAPTTDP1
SCHEMBL27100813 0.84 ALDH1A1 (0.36) MEN1KMT2AGFERMAPK1POLB
SCHEMBL27100783 0.84 RAB9A (0.36) MAPK1POLBALDH1A1MAPTTDP1
SCHEMBL27100757 0.84 MEN1 (0.37) MEN1KMT2AGFERALDH1A1MAPT
SCHEMBL27100787 0.84 HTR2C (0.39) MEN1KMT2AMAPK1POLBALDH1A1
SCHEMBL27100809 0.83 HPGD (0.36) MAPK1ALDH1A1MAPTTDP1LMNA
SCHEMBL27100786 0.83 MAPK1 (0.39) MEN1KMT2AGFERMAPK1POLB
SCHEMBL27100800 0.83 ALDH1A1 (0.47) MEN1KMT2AGFERTDP2ALDH1A1

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-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed