SCHEMBL15433372

SCHEMBL15433372

COc1cc(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)c(OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ TDP1 Q9NUW8 4/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TNNI3 P19429 1/20 0.42
▸ TNNT2 P45379 1/20 0.42
▸ TNNC1 P63316 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
SCHEMBL12661179 1.00 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14496915 1.00 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2754791 0.92 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL234834 0.92 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL10079082 0.90 ACHE (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15433373 0.90 ACHE (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15433370 0.89 MPI (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14823076 0.89 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL825843 0.88 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL12133421 0.88 MEN1 (0.48) 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-8633307-B2 Dark quenchers for donor-acceptor energy transfer BIOSEARCH TECHNOLOGIES, INC. (US) 2014-01-21 — — US disclosed
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