SCHEMBL14938874

SCHEMBL14938874

c1ccc(P(c2ccccc2)N(c2cccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)c2)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
KDM1A O60341 1/20 0.32
HTT P42858 2/20 0.31
ATM Q13315 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
ALOX12 P18054 1/20 0.31
RUNX1 Q01196 1/20 0.31
CBFB Q13951 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16755617 0.87 TDP1 (0.43) TDP1CYP3A4ALDH1A1MEN1MAPT
SCHEMBL29420182 0.86 MTNR1A (0.38) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL24784695 0.81 TSHR (0.43) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL29420175 0.81 PTPN1 (0.37)
SCHEMBL26440763 0.77 KCNA3 (0.46)
SCHEMBL29420183 0.75 GABRA1 (0.34) CYP3A4ALDH1A1MEN1MAPTKMT2A
SCHEMBL20025824 0.73 CYP2C19 (0.44) TDP1CYP3A4ALDH1A1ATMHPGD
SCHEMBL2576486 0.72 TDP1 (0.43) TDP1CYP3A4ALDH1A1MEN1MAPT
SCHEMBL17345798 0.71 CALM1 (0.44) TDP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL17345797 0.71 LTA4H (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140316032-A1 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2014-10-23 US disclosed
US-20140316032-A1 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2014-10-23 US disclosed
US-20140316032-A1 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2014-10-23 US disclosed
EP-2776499-A2 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2014-09-17 EP disclosed
WO-2013068437-A2 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2013-05-16 WO disclosed
WO-2013068437-A2 P-N-COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2013-05-16 WO disclosed