SCHEMBL28870474

SCHEMBL28870474

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 12/20 0.68
TMPRSS4 Q9NRS4 9/20 0.68
P2RX7 Q99572 8/20 0.68
P2RX4 Q99571 7/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
IKBKB O14920 1/20 0.68
CHUK O15111 1/20 0.68
KDR P35968 1/20 0.68
FLT3 P36888 1/20 0.68
MYLK Q15746 1/20 0.68
MAP4K5 Q9Y4K4 1/20 0.68
TLR8 Q9NR97 1/20 0.56
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC2A1 P11166 1/20 0.54
XPO1 O14980 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
SCHEMBL16709939 0.87 TMPRSS4 (0.68) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL19645367 0.86 P2RX1 (0.67) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL16702757 0.86 P2RX1 (0.67) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL24409828 0.85 P2RX1 (0.65) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130511 0.85 TMPRSS4 (0.65) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL6102085 0.85 P2RX1 (0.65) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL3497425 0.84 TMPRSS4 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL28359923 0.84 P2RX1 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL16703449 0.84 P2RX1 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL29511638 0.84 P2RX1 (0.64) P2RX1TMPRSS4P2RX7P2RX4MEN1

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
CN-115093443-A Crystal 埃罗米克斯公司 2022-09-23 CN disclosed