SCHEMBL14965763

SCHEMBL14965763

CC(C)(C)[Si](C)(C)OCCN(CCn1cc([N+](=O)[O-])nc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.34
SOS1 Q07889 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14969412 0.91 NR1D1 (0.36) MITFSOS1HTTNPC1MAPT
SCHEMBL14965947 0.90 MEP1B (0.37) MITFLMNAKCNH2
SCHEMBL14966100 0.90 KCNH2 (0.40) MITFSOS1TRPA1OPRM1KCNH2
SCHEMBL14969684 0.88 NR1D1 (0.36) MITFSOS1LMNA
SCHEMBL14965901 0.88 MITF (0.37) MITFSOS1LMNA
SCHEMBL14971136 0.83 MITF (0.35) MITFSOS1HTTMEN1NPC1
SCHEMBL14966156 0.83 KCNH2 (0.37) KCNH2
SCHEMBL14965734 0.82 NR1D1 (0.38) MITFMAPTLMNA
SCHEMBL14965539 0.82 NR1H3 (0.39) MITFMEN1MAPTKMT2A
SCHEMBL14965850 0.80 MITF (0.35) MITFMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed