SCHEMBL4083700

SCHEMBL4083700

Nc1c2ccc-2c1N.Nc1cccc(O)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.50
TSHR P16473 3/20 0.50
CASP7 P55210 2/20 0.43
G6PD P11413 1/20 0.43
CASP6 P55212 1/20 0.43
CD44 P16070 1/20 0.41
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 5/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.38

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
SCHEMBL29623283 0.90
SCHEMBL190980 0.90
SCHEMBL31384129 0.87 ALOX15 (0.57) ALOX15TSHRCASP7G6PDCASP6
Hydrochloric Acid SCHEMBL3000038 0.87 ALOX15 (0.57) ALOX15TSHRCASP7G6PDCASP6
SCHEMBL15541144 0.87 ALOX15 (0.57) ALOX15TSHRCASP7G6PDCASP6
Hydrochloric Acid SCHEMBL7691097 0.87 ALOX15 (0.57) ALOX15TSHRCASP7G6PDCASP6
SCHEMBL4551706 0.83 ALOX15 (0.52) ALOX15TSHRCASP7G6PDCASP6
Formaldehyde SCHEMBL28382208 0.83 ALOX15 (0.52) ALOX15TSHRCASP7G6PDCASP6
SCHEMBL564030 0.79 CASP7 (0.50) ALOX15TSHRCASP7G6PDCASP6
SCHEMBL6875810 0.79 ALOX15 (0.54) ALOX15TSHRCASP7G6PDCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009523884-A 2009-06-25 JP claimed
WO-2007083909-A1 POLYIMIDE FILM KOLON INDUSTRIES, INC. (KR) 2007-07-26 WO claimed
WO-2007083909-A1 POLYIMIDE FILM KOLON INDUSTRIES, INC. (KR) 2007-07-26 WO disclosed