SCHEMBL6942590

SCHEMBL6942590

NN(C(=O)c1ccccc1)C(=O)c1cc(OCc2ccc3ccccc3c2)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CYP19A1 P11511 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6841844 0.84 MAPT (0.55) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL6836524 0.83 MAPT (0.58) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL6841271 0.81 MAPT (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL9599386 0.77 CNR2 (0.51) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL11265699 0.75 MEN1 (0.70) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL7110502 0.73 MAOB (0.65) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL11265305 0.73 MEN1 (0.55) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL417705 0.72 MAPT (0.60) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL21483677 0.72 MAPT (0.55) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL28388087 0.71 TP53 (0.63) MAPTMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 WO disclosed