SCHEMBL5379822

SCHEMBL5379822

CC(C)(C)c1cc([N+](=O)[O-])[c]c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 6/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL7949511 0.88 GABRA1 (0.34) GABRA1GABRB2HTTMEN1KMT2A
SCHEMBL28890635 0.87 ALDH1A1 (0.33) GABRA1GABRB2HTTMEN1KMT2A
SCHEMBL7847765 0.78 ALDH1A1 (0.52) HTTSMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL9650097 0.76 ALDH1A1 (0.36) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL14200248 0.73 HTT (0.55) GABRA1GABRB2HTTMEN1KMT2A
SCHEMBL9605456 0.73 HTT (0.55) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL10967569 0.72 HTT (0.46) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL18479 0.72 CYP19A1 (0.52) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL2230167 0.71 TDP1 (0.52) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL28195381 0.70 ERN1 (0.37) MEN1KMT2AGPR35ALDH1A1LMNA

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
CN-104876976-A Meso-5,10,15,20-tetrakis(p-carboxyphenyl) porphyrin bi-metal coordination polymer and synthesis method thereof UNIV NANJING NORMAL 2015-09-02 CN disclosed
US-7173102-B2 Microbiocide surfaces; contact antiseptic THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-02-06 US disclosed
US-20040185257-A1 Microbiocide surfaces; contact antiseptic NSF - DEITR 2004-09-23 US disclosed
EP-1372551-A4 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS UNIV PENNSYLVANIA (US) 2004-05-12 EP disclosed
EP-1372551-A2 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS The University of Pennsylvania (US) 2004-01-02 EP disclosed
WO-2002100295-A2 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-12-19 WO disclosed