SCHEMBL9682909

SCHEMBL9682909

O=[N+]([O-])c1cc(O)ccc1C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
TYR P14679 1/20 0.41
MAP2K1 Q02750 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CASP6 P55212 2/20 0.38
PSMD14 O00487 1/20 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
SCHEMBL8744236 0.84 CRHBP (0.52) CRHBPCRHR2MAP2K1MEN1KMT2A
SCHEMBL10372351 0.83 KMT2A (0.46) CRHBPCRHR2TYRMEN1KMT2A
SCHEMBL31633570 0.82 CYP1A2 (0.56) CRHBPCRHR2MEN1KMT2ACYP1A2
SCHEMBL5583438 0.82 CYP1A2 (0.56) CRHBPCRHR2MEN1KMT2ACYP1A2
SCHEMBL9489211 0.81 GAA (0.47) CRHBPCRHR2MEN1KMT2ACYP1A2
SCHEMBL4622229 0.80 ALDH1A1 (0.45) CRHBPCRHR2MAP2K1MEN1KMT2A
Potassium Ion SCHEMBL8055305 0.79 ALDH1A1 (0.44) CRHBPCRHR2MAP2K1MEN1KMT2A
SCHEMBL5583406 0.77 VCAM1 (0.46) MEN1KMT2ACYP1A2GAAMAPT
SCHEMBL4622230 0.76 CRHBP (0.41) CRHBPCRHR2TYRMEN1KMT2A
SCHEMBL12419055 0.76 ALDH1A1 (0.39) CRHBPCRHR2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493367-A2 Silicone resist materials containing polysilanes and methods of making the same KABUSHIKI KAISHA TOSHIBA (JP) 1992-07-01 EP disclosed
US-5017453-A Integrated circuits KABUSHIKI KAISHA TOSHIBA (JP) 1991-05-21 US disclosed
US-4822716-A FINE PATTERN SEMICONDUCTOR, INTEGRATED CIRCUIT KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-18 US disclosed
EP-0231497-A1 Silicone resist materials containing polysiloxanes KABUSHIKI KAISHA TOSHIBA (JP) 1987-08-12 EP disclosed