SCHEMBL19248249

SCHEMBL19248249

CNc1ccc(Nc2ccc(Nc3ccc(CCc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
G6PD P11413 1/20 0.42
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 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
SCHEMBL19539151 1.00 HPGD (0.50) HPGDCYP1A2CYP2A6TAAR1MAPT
SCHEMBL13573418 0.89 HPGD (0.52) HPGDMAPTMEN1GAAKMT2A
SCHEMBL8738210 0.87 HPGD (0.64) HPGDCYP1A2MAPTMEN1GAA
SCHEMBL471119 0.87 HPGD (0.64) HPGDCYP1A2MAPTMEN1GAA
SCHEMBL2620355 0.87 HPGD (0.64) HPGDCYP1A2MAPTMEN1GAA
SCHEMBL18951277 0.82 MAPT (0.48) HPGDCYP1A2CYP2A6TAAR1MAPT
SCHEMBL14707935 0.81 HPGD (0.52) HPGDCYP1A2CYP2A6TAAR1MAPT
SCHEMBL26267723 0.80 MAPT (0.67) HPGDCYP1A2CYP2A6TAAR1MAPT
SCHEMBL44533 0.79
SCHEMBL1033861 0.78 HPGD (0.53) HPGDMAPTMEN1GAAKMT2A

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
US-9735423-B2 Nonaqueous electrolyte secondary battery and cathode sheet therefor NITTO DENKO CORPORATION (JP) 2017-08-15 US disclosed