SCHEMBL6151856

SCHEMBL6151856

CN(C)C(=O)c1ccc([N+](=O)[O-])c(N2CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
SIRT6 Q8N6T7 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 3/20 0.38

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
SCHEMBL11566520 0.84 POLB (0.54) SMN1; SMN2KMT2AMEN1HPGDPOLB
SCHEMBL1535140 0.81 MAPT (0.52) SMN1; SMN2KMT2AMEN1POLBPKM
SCHEMBL366886 0.72 MAPT (0.52) SMN1; SMN2KMT2AMEN1POLBPKM
SCHEMBL5827633 0.71 MAPT (0.67) SMN1; SMN2KMT2AMEN1HPGDNPSR1
SCHEMBL7761933 0.67 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3729240 0.67 TSHR (0.55) KMT2AMEN1HPGDNPSR1FAAH
SCHEMBL1857955 0.67 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28114496 0.67 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1371167 0.67 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1POLBPKM
SCHEMBL13685419 0.67 MAPT (0.49) SMN1; SMN2KMT2AMEN1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725826-B1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RES CAMPAIGN TECH (GB) 2005-01-26 EP disclosed
EP-0725826-A1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-08-14 EP disclosed
WO-1996014420-A1 INDUCIBLE CELL ABLATION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-17 WO disclosed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO disclosed