SCHEMBL9839289

SCHEMBL9839289

CCCCCCCc1cnc(-c2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.63
MAPT P10636 5/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KCNH2 Q12809 1/20 0.54
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL9839611 1.00 RARB (0.63) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL10824195 1.00 RARB (0.63) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL11180480 0.87 RARB (0.58) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL10582913 0.82 RAB9A (0.63) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1513188 0.82 KCNH2 (0.71) RARBMAPTALDH1A1MEN1KMT2A
SCHEMBL9840084 0.82 MAPT (0.79) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL9220200 0.82 MAPT (0.79) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL9615976 0.82 MAPT (0.79) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL9850160 0.82 MAPT (0.79) RARBMAPTRAB9ANPC1ALDH1A1
SCHEMBL7159512 0.82 MAPT (0.79) RARBMAPTRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030383-A With low temperature dependence of threshold voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-09 US disclosed
EP-0258349-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1990-05-23 EP disclosed
EP-0258349-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1988-03-09 EP disclosed
WO-1987005318-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 WO disclosed