SCHEMBL17845904

SCHEMBL17845904

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1OP(=O)(Oc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TMPRSS4 Q9NRS4 2/20 0.53
MAPT P10636 2/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HTT P42858 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
P2RX1 P51575 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL17845895 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TMPRSS4MAPTGFER
SCHEMBL17845905 0.91 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TMPRSS4MAPTGFER
SCHEMBL17859008 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TMPRSS4MAPTGFER
SCHEMBL7515157 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTGFERHSD17B10
SCHEMBL17859072 0.86 LRRK2 (0.52) SMN1; SMN2ALDH1A1MAPTGFERHSD17B10
SCHEMBL30771749 0.80 TMPRSS4 (0.80) SMN1; SMN2TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL3853307 0.80 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1TMPRSS4MAPTNPSR1
SCHEMBL17845892 0.80 TMPRSS4 (0.80) SMN1; SMN2TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL17845909 0.78 P2RX1 (0.58) SMN1; SMN2ALDH1A1TMPRSS4POLBCYP1A2
SCHEMBL6370502 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TMPRSS4MAPTNPSR1

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-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 WO disclosed