SCHEMBL7909935

SCHEMBL7909935

COc1ccc(N(C(C)=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 7/20 0.51
MAPT P10636 6/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 1/20 0.51
AKR1C3 P42330 5/20 0.49
AKR1C2 P52895 5/20 0.49
POLB P06746 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
AKR1C4 P17516 2/20 0.46
AKR1C1 Q04828 2/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL11552606 0.90 MEN1 (0.52) MEN1KMT2ATSHRRAB9AMAPT
SCHEMBL11755275 0.81 POLB (0.54) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10527436 0.81 ATM (0.43) MEN1KMT2ATSHRMAPTNPC1
SCHEMBL9396448 0.80 POLB (0.55) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10413873 0.80 KMT2A (0.71) MEN1KMT2ATSHRRAB9APOLB
SCHEMBL8933428 0.79 ALDH1A1 (0.50) MEN1KMT2ATSHRRAB9AMAPT
SCHEMBL8933437 0.78 TP53 (0.42) MEN1KMT2ATSHRRAB9AMAPT
SCHEMBL11225167 0.77 MEN1 (0.56) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL8697187 0.77 SMN1; SMN2 (0.46) MEN1KMT2ATSHRRAB9AMAPT
SCHEMBL7950734 0.75 RAB9A (0.55) MEN1KMT2ARAB9AMAPTNPC1

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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed