SCHEMBL3277218

SCHEMBL3277218

COc1cc([N+](=O)[O-])c2[nH]nnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.40
PIM1 P11309 3/20 0.39
PIM3 Q86V86 3/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL27647532 0.80 GRIN2D (0.47) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL3735113 0.78 TXNRD1 (0.46) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL10626872 0.77 GRIN2D (0.41) MEN1PKMKMT2AALDH1A1HTT
SCHEMBL27627269 0.76 AKR1B1 (0.42) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL13318837 0.76 TDP1 (0.41) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL9173374 0.75 GRIN2D (0.40) MEN1PKMKMT2AALDH1A1HTT
Silver SCHEMBL9173360 0.75 GRIN2D (0.40) MEN1PKMKMT2AALDH1A1HTT
SCHEMBL13318833 0.75 XDH (0.46) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL3727198 0.74 CASP6 (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL25648677 0.74 ALDH1A1 (0.36) MAPTKDM4EMEN1KMT2AALDH1A1

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-7691525-B2 heat-sensitive indicator on outer surface; thermochromism; thermoplastics SAMSUNG SDI CO., LTD. (KR) 2010-04-06 US claimed
US-20060008699-A1 Secondary battery SAMSUNG SDI CO., LTD. (KR) 2006-01-12 US claimed
US-7691525-B2 heat-sensitive indicator on outer surface; thermochromism; thermoplastics SAMSUNG SDI CO., LTD. (KR) 2010-04-06 US disclosed
US-20060008699-A1 Secondary battery SAMSUNG SDI CO., LTD. (KR) 2006-01-12 US disclosed
US-4717710-A CHROMOGEN, TRIAZOLE, AZOMETHINE OR CARBOXYLIC ACID AMINE SALT, AND AN ALCOHOL, AMIDE OR ESTER SOLVENT MATSUI SHIKISO CHEMICAL CO. LTD. (JP) 1988-01-05 US disclosed
EP-0188635-A1 Thermochromic composition MATSUI SHIKISO CHEMICAL CO., LTD (JP) 1986-07-30 EP disclosed