SCHEMBL16416085

SCHEMBL16416085

O=[N+]([O-])c1cc(Cl)ccc1-c1ccc2c(cnn2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ NR3C1 P04150 12/20 0.46
▸ PGR P06401 3/20 0.46
▸ AR P10275 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HSD11B1 P28845 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
SCHEMBL16415953 0.91 NR3C1 (0.46) RAB9AMAPTNPC1HPGDNFKB1
SCHEMBL15797007 0.87 NR3C1 (0.52) RAB9AMAPTNPC1HPGDNR3C1
SCHEMBL15797029 0.80 NR3C1 (0.46) RAB9AMAPTNPC1HPGDNR3C1
SCHEMBL15797001 0.78 KHK (0.51) RAB9AMAPTNPC1HPGDNR3C1
SCHEMBL28656833 0.75 RAB9A (0.53) RAB9AMAPTNPC1HPGDNFKB1
SCHEMBL22155633 0.74 RAB9A (0.52) RAB9AMAPTNPC1HPGDNFKB1
SCHEMBL5214993 0.73 RAB9A (0.63) RAB9AMAPTNPC1HPGDNFKB1
SCHEMBL18280704 0.72 ALDH1A1 (0.50) RAB9AMAPTNPC1HPGDNR3C1
SCHEMBL15797003 0.72 LMNA (0.56) MAPTNR3C1PGRPKMHSD11B1
SCHEMBL2138649 0.72 MAPK1 (0.57) RAB9AMAPTNPC1HPGDNFKB1

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-2015012528-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2015-01-29 — — WO disclosed
Send feedback