SCHEMBL3328194

SCHEMBL3328194

O=C(F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.72
CES1 P23141 1/20 0.72
TP53 P04637 1/20 0.70
ALDH1A1 P00352 6/20 0.68
TSHR P16473 4/20 0.68
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
RXFP1 Q9HBX9 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
BLM P54132 1/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54

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
SCHEMBL27981719 0.86 CES2 (0.69) CES2CES1TP53ALDH1A1TSHR
SCHEMBL31374765 0.84 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL181572 0.84 CES2 (0.78) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2156825 0.84 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL19857228 0.83 CES2 (0.65) CES2CES1TP53ALDH1A1TSHR
SCHEMBL27709081 0.82 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8962468 0.82 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL29490968 0.82 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2170995 0.82 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL132618 0.82 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR

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
CN-119735801-A Polyether-ether-ketone with low shear viscosity and preparation method and application thereof 吉林省中研高分子材料股份有限公司 2025-04-01 CN claimed
CN-119735801-A Polyether-ether-ketone with low shear viscosity and preparation method and application thereof 吉林省中研高分子材料股份有限公司 2025-04-01 CN disclosed
US-8193295-B2 Amide group-containing siloxane amine compound SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-06-05 US disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-20100137547-A1 NOVEL AMIDE GROUP-CONTAINING SILOXANE AMINE COMPOUND SONY CHEMICAL & INFORMATON DEVICE CORPORATION (JP) 2010-06-03 US disclosed