SCHEMBL8986919

SCHEMBL8986919

Nc1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)c(N)c(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
APP P05067 1/20 0.52
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL9821491 0.96 ALDH1A1 (0.56) ALDH1A1MAPTLMNACA12CA1
SCHEMBL22409591 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNACA12CA1
SCHEMBL28260452 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6423919 0.80 CA1 (0.67) ALDH1A1MAPTLMNACA12CA1
SCHEMBL28198 0.80 CA1 (0.67) ALDH1A1MAPTLMNACA12CA1
SCHEMBL595873 0.79 ALDH1A1 (0.86) ALDH1A1MAPTLMNACA12CA1
SCHEMBL9650808 0.79 ALDH1A1 (0.86) ALDH1A1MAPTLMNACA12CA1
SCHEMBL8986931 0.78 MEN1 (0.46) ALDH1A1MAPTLMNACA12CA1
Water SCHEMBL28670631 0.78 CA1 (0.64) ALDH1A1MAPTLMNACA12CA1
Ammonia Solution, Strong SCHEMBL1663962 0.77 ALDH1A1 (0.82) ALDH1A1MAPTLMNACA12CA1

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-5482822-A MULTILAYER ELEMENT FOR OPTICAL DISKS WITH SUBSTRATE AND OPTICAL COATINGS CANON KABUSHIKI KAISHA (JP) 1996-01-09 US disclosed
EP-0305054-B1 IR-ray absorptive compound and optical recording medium by use thereof CANON KK (JP) 1994-03-30 EP disclosed
US-5245030-A Durability, radiation resistance CANON KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
US-5108873-A IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1992-04-28 US disclosed
US-4923390-A AMINE OR QUATERNARY SALTS USED AS PHOTOSTABILIZERS WITH METHINE DYES; HEAT AND RADIATION RESISTANCE; DURABILITY; OPTICAL CARDS AND DISKS; LASERS CANON KABUSHIKI KAISHA (JP) 1990-05-08 US disclosed
EP-0305054-A1 IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1989-03-01 EP disclosed