SCHEMBL9631441

SCHEMBL9631441

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
FBP1 P09467 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 2/20 0.39
PAM P19021 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAOB P27338 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 0.79 HTR2A (0.44) HTR2AFBP1IDO1PAMNPC1
SCHEMBL9633167 0.76 HTR2A (0.42) HTR2AFBP1MEN1KMT2AIDO1
SCHEMBL9631815 0.75 HTR2A (0.49) HTR2AFBP1IDO1PAMNPC1
SCHEMBL7914627 0.74 NPC1 (0.56) FBP1TDP1MEN1KMT2ANPC1
SCHEMBL267779 0.72 TDP1 (0.59) FBP1TDP1KMT2A
SCHEMBL244830 0.72 TDP1 (0.59) FBP1TDP1KMT2A
SCHEMBL6260317 0.72 TDP1 (0.59) FBP1TDP1KMT2A
SCHEMBL5674577 0.72 MAOB (0.43) TDP1MEN1KMT2ANPC1RAB9A
Hydrogen Sulfide SCHEMBL28326251 0.71 TDP1 (0.58) FBP1TDP1KMT2A
SCHEMBL4863423 0.71 IDO1 (0.58) HTR2ATDP1IDO1PAMNPC1

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