SCHEMBL17845889

SCHEMBL17845889

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.61
P2RX1 P51575 4/20 0.61
P2RX4 Q99571 4/20 0.61
P2RX7 Q99572 4/20 0.61
TLR8 Q9NR97 1/20 0.54
LRRK2 Q5S007 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
MYLK Q15746 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
SLC2A1 P11166 1/20 0.52

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
SCHEMBL17845900 0.89 ALDH1A1 (0.56) TMPRSS4P2RX1MEN1KMT2APOLB
SCHEMBL17845909 0.88 P2RX1 (0.58) TMPRSS4P2RX1P2RX4P2RX7TLR8
SCHEMBL17859008 0.86 SMN1; SMN2 (0.55) TMPRSS4P2RX1TLR8LRRK2MEN1
SCHEMBL17845901 0.85 ALDH1A1 (0.52) TMPRSS4P2RX1LRRK2MEN1KMT2A
SCHEMBL17858986 0.84 LRRK2 (0.60) TMPRSS4P2RX1P2RX4P2RX7TLR8
SCHEMBL17845896 0.82 NPC1 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5757242 0.82 ALDH1A1 (0.72) TMPRSS4P2RX1P2RX4P2RX7TLR8
SCHEMBL16702757 0.81 P2RX1 (0.67) TMPRSS4P2RX1P2RX4P2RX7TLR8
SCHEMBL6102085 0.80 P2RX1 (0.65) TMPRSS4P2RX1P2RX4P2RX7TLR8
SCHEMBL29511638 0.79 P2RX1 (0.64) TMPRSS4P2RX1P2RX4P2RX7TLR8

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