SCHEMBL9631475

SCHEMBL9631475

C[N+]([O-])=CCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
FBP1 P09467 1/20 0.44
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
RELA Q04206 1/20 0.39
MAOB P27338 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL9631815 0.83 HTR2A (0.49) HTR2AFBP1IDO1PAMNPC1
SCHEMBL9633167 0.81 HTR2A (0.42) HTR2AFBP1IDO1PAMNPC1
SCHEMBL9631441 0.79 HTR2A (0.41) HTR2AFBP1IDO1PAMNPC1
SCHEMBL9632506 0.79 MAPT (0.54) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL9632571 0.78 FBP1 (0.53) FBP1NPC1RAB9AALDH1A1RELA
SCHEMBL9777486 0.75 IDO1 (0.58) HTR2AIDO1PAMNPC1RAB9A
SCHEMBL4863423 0.75 IDO1 (0.58) HTR2AIDO1PAMNPC1RAB9A
SCHEMBL28012881 0.72 FBP1 (0.59) HTR2AFBP1IDO1PAMNPC1
SCHEMBL5563497 0.72 HTR2A (0.52) HTR2AIDO1PAMNPC1SIGMAR1
SCHEMBL5563494 0.72 HTR2A (0.52) HTR2AIDO1PAMNPC1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254221-B1 CONTRAST ENHANCEMENT LAYER COMPOSITIONS, ALKYLNITRONES, AND USE MicroSi, Inc. (a Delaware corporation) (US) 1992-05-13 EP claimed
EP-0254221-A2 Contrast enhancement layer compositions, alkylnitrones, and use MicroSi, Inc. (a Delaware corporation) (US) 1988-01-27 EP claimed
EP-0254221-B1 CONTRAST ENHANCEMENT LAYER COMPOSITIONS, ALKYLNITRONES, AND USE MicroSi, Inc. (a Delaware corporation) (US) 1992-05-13 EP disclosed
US-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US disclosed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US disclosed
EP-0254221-A2 Contrast enhancement layer compositions, alkylnitrones, and use MicroSi, Inc. (a Delaware corporation) (US) 1988-01-27 EP disclosed