SCHEMBL9631799

SCHEMBL9631799

C[N+]([O-])=Cc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
FBP1 P09467 1/20 0.47
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
APP P05067 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
LMNA P02545 3/20 0.38
CA3 P07451 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
CA4 P22748 3/20 0.38
CA5A P35218 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
SCHEMBL13100477 0.87 L3MBTL1 (0.43) FBP1ALDH1A1MAPTHSD17B10NPC1
SCHEMBL9631776 0.78 FBP1 (0.48) FBP1MAPTKDM4ECA1HSD17B10
SCHEMBL11754100 0.76 ALDH1A1 (0.50) FBP1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL14992514 0.76 EGFR (0.42) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL4712004 0.76 TDP1 (0.43) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL14993283 0.76 EGFR (0.42) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL14992517 0.76 EGFR (0.42) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL14993056 0.76 TDP1 (0.43) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL14993281 0.76 EGFR (0.42) EGFRFBP1ALDH5A1ABATAPP
SCHEMBL14993055 0.76 TDP1 (0.43) EGFRFBP1ALDH5A1ABATAPP

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 5 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