SCHEMBL9503602

SCHEMBL9503602

O=C(CCCc1ccc([N+](=O)[O-])cc1)OC(=O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
KCNJ1 P48048 2/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP2C19 P33261 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 3/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
EPHX1 P07099 1/20 0.46
IDO1 P14902 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
AKR1C3 P42330 1/20 0.45

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
SCHEMBL11577381 0.94 TSHR (0.53) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL9503608 0.93 BCL9 (0.58) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL14075558 0.87 MAPT (0.54) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL1350599 0.87 MAPT (0.55) MAPTKMT2ATSHRALDH1A1KCNH2
SCHEMBL15154022 0.87 MAPT (0.54) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL14724028 0.86 MAPT (0.53) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL7188600 0.84 MAPT (0.55) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL5024676 0.84 MAPT (0.52) MAPTKMT2ATSHRKCNJ1ALDH1A1
Hydrochloric Acid SCHEMBL6988461 0.83 MAPT (0.54) MAPTKMT2ATSHRKCNJ1ALDH1A1
SCHEMBL10434033 0.83 ALDH1A1 (0.56) MAPTKMT2ATSHRKCNJ1ALDH1A1

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
EP-0322003-B1 AZOMETHINE DYE DERIVED FROM A COMPOUND HAVING A PYRAZOLO TRIAZOLE MOIETY FUJI PHOTO FILM CO., LTD. (JP) 1993-06-23 EP disclosed
EP-0119860-B1 PYRAZOLO MAGENTA COUPLERS USED IN SILVER HALIDE PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1989-10-25 EP disclosed
EP-0322003-A2 Azomethine dye derived from a compound having a pyrazolo triazole moiety FUJI PHOTO FILM CO., LTD. (JP) 1989-06-28 EP disclosed
US-4621046-A MAGENTA COLOR IMAGE FORMING COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1986-11-04 US disclosed
US-4540654-A Method of forming color image comprising heterocyclic magenta dye-forming coupler FUJI PHOTO FILM CO., LTD. (JP) 1985-09-10 US disclosed
EP-0119860-A2 Pyrazolo magenta couplers used in silver halide photography FUJI PHOTO FILM CO., LTD. (JP) 1984-09-26 EP disclosed