SCHEMBL4860415

SCHEMBL4860415

CC(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
NR1H4 Q96RI1 2/20 0.46
HSPB1 P04792 2/20 0.45
PTGS2 P35354 1/20 0.44
MCL1 Q07820 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
APP P05067 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4859122 0.78 MEN1 (0.69) HTTNR1H4PTGS2MEN1KMT2A
SCHEMBL30176238 0.78 HTT (0.58) HTTNR1H4HSPB1MEN1KMT2A
SCHEMBL14280534 0.78 NPSR1 (0.41) HTTPTGS2MEN1KMT2AALDH1A1
SCHEMBL28051442 0.77 HSPB1 (0.70) HTTHSPB1MCL1MEN1KMT2A
SCHEMBL3208134 0.77 HSPB1 (0.70) HTTHSPB1MCL1MEN1KMT2A
SCHEMBL4857603 0.76 ALDH1A1 (0.50) NR1H4PTGS2MEN1KMT2AALDH1A1
SCHEMBL30176239 0.75 HTT (0.54) HTTNR1H4HSPB1MEN1KMT2A
SCHEMBL15858620 0.74 HSPB1 (0.53) HTTHSPB1MEN1KMT2AALDH1A1
SCHEMBL28983411 0.73 HSPB1 (0.51) HTTNR1H4HSPB1PTGS2MEN1
SCHEMBL4670068 0.73 HSPB1 (0.59) HTTHSPB1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317110-B2 Low dielectric constant organo-soluble polyimides HOME SUN INDUSTRIAL CO., LTD. (TW) 2008-01-08 US disclosed
US-20060178499-A1 Low dielectric constants organic-soluble polyimides, and method for manufacturing thereof HOME SUN INDUSTRIAL CO,. LTD. (TW) 2006-08-10 US disclosed