SCHEMBL9633167

SCHEMBL9633167

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
FBP1 P09467 1/20 0.41
IDO1 P14902 2/20 0.40
PAM P19021 1/20 0.40
RELA Q04206 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRM5 P41594 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9631475 0.81 HTR2A (0.44) HTR2AFBP1IDO1PAMRELA
SCHEMBL9631815 0.76 HTR2A (0.49) HTR2AFBP1IDO1PAMNPC1
SCHEMBL9631441 0.76 HTR2A (0.41) HTR2AFBP1IDO1PAMNPC1
SCHEMBL1404270 0.74 G6PD (0.42) FBP1RELANPC1RAB9AKMT2A
SCHEMBL9777486 0.72 IDO1 (0.58) HTR2AIDO1PAMRELANPC1
SCHEMBL4863423 0.72 IDO1 (0.58) HTR2AIDO1PAMRELANPC1
SCHEMBL21457936 0.71 HTR2A (0.50) HTR2AIDO1PAMRELASIGMAR1
SCHEMBL21457935 0.71 HTR2A (0.50) HTR2AIDO1PAMRELASIGMAR1
SCHEMBL295172 0.71 HTR2A (0.50) HTR2AIDO1PAMRELASIGMAR1
SCHEMBL4528665 0.71 HTR2A (0.54) HTR2AIDO1PAMRELANPC1

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
US-5106723-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1992-04-21 US claimed
US-5002993-A Contrast enhancement layer compositions, alkylnitrones, and use MICROSI, INC. (US) 1991-03-26 US 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