SCHEMBL7968127

SCHEMBL7968127

COC1=NC(C=C=O)=C(OC)C(c2ccc([N+](=O)[O-])cc2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
BCL9 O00512 1/20 0.34
CTNNB1 P35222 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
SCHEMBL7532281 0.83 ALDH1A1 (0.45) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6199441 0.77 MEN1 (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL4294571 0.74 MGLL (0.42) PKMMEN1KMT2AGAAMAPT
SCHEMBL3988068 0.74 MGLL (0.41) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL14760554 0.73 ALDH1A1 (0.43) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6197215 0.71 ADRA1A (0.36) MEN1KMT2AMGLLBCL9CTNNB1
SCHEMBL8337661 0.71 ADRA1A (0.36) MEN1KMT2AMGLLBCL9CTNNB1
SCHEMBL6194063 0.70 CACNA1F (0.41) MEN1KMT2A
SCHEMBL6644031 0.69 MYLK (0.39) PKMMEN1KMT2AGAAALDH1A1
SCHEMBL6715274 0.69 BCL9 (0.35) PKMALDH1A1MAPTFAAHMGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed