SCHEMBL17841985

SCHEMBL17841985

O=[N+]([O-])c1ccccc1-c1ccc(Cl)c2c1ccc1c3ccccc3ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.52
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 4/20 0.41
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
EIF4E P06730 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GUSB P08236 1/20 0.39
F2 P00734 1/20 0.39
C1R P00736 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HNF4A P41235 1/20 0.37

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
SCHEMBL15821069 0.85 HPRT1 (0.65) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL17841980 0.85 HPRT1 (0.65) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL17841971 0.83 HPRT1 (0.58) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL22211955 0.81 ALDH1A1 (0.59) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL18810941 0.81 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMEN1GUSB
SCHEMBL2601574 0.80 ALDH1A1 (0.51) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL2627610 0.80 HPRT1 (0.71) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL22223633 0.79 TDP1 (0.55) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL30443747 0.77 ALDH1A1 (0.71) HPRT1ALDH1A1TDP1KMT2AMEN1
SCHEMBL29848512 0.77 ALDH1A1 (0.71) HPRT1ALDH1A1TDP1KMT2AMEN1

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
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed