SCHEMBL13265686

SCHEMBL13265686

COc1ccccc1NC(=O)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
RORC P51449 1/20 0.56
MAPT P10636 4/20 0.54
THRA P10827 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.52
CCR5 P51681 1/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SETD7 Q8WTS6 1/20 0.50

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
SCHEMBL13265925 0.88 KCNMA1 (0.56) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL7374064 0.83 MEN1 (0.78) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL14537856 0.82 MAPT (0.71) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL13265680 0.82 SETD7 (0.60) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL13265671 0.81 MEN1 (0.65) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL13265674 0.80 THRA (0.55) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL13240465 0.79 LOXL2 (0.55) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL8710534 0.79 SIRT2 (0.60) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13265678 0.76 THRA (0.53) MEN1KMT2AMAPTTHRAALDH1A1
SCHEMBL3528493 0.76 EPHX1 (0.78) MEN1KMT2AMAPTALDH1A1HTT

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed