SCHEMBL28569445

SCHEMBL28569445

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
P2RX1 P51575 6/20 0.57
P2RX7 Q99572 5/20 0.57
P2RX4 Q99571 4/20 0.57
TMPRSS4 Q9NRS4 3/20 0.57
KDR P35968 3/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MEN1 O00255 1/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
FLT3 P36888 1/20 0.51
KMT2A Q03164 1/20 0.51
MYLK Q15746 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
JUN P05412 3/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50

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
SCHEMBL4348880 0.87 EPHX2 (0.69) MAPTP2RX1P2RX7P2RX4TMPRSS4
SCHEMBL3692790 0.86 KDR (0.73) MAPTP2RX1P2RX7P2RX4TMPRSS4
SCHEMBL2681462 0.86 MAPT (0.78) MAPTP2RX1P2RX7P2RX4KDR
SCHEMBL6567241 0.84 EPHX1 (0.59) MAPTCA2CA9MEN1KMT2A
SCHEMBL3681047 0.83 CHRNA7 (0.67) MAPTKDRCA12CA1CA2
SCHEMBL11007470 0.81 KDR (0.58) MAPTP2RX1P2RX7P2RX4TMPRSS4
SCHEMBL11001119 0.81 MAPT (0.57) MAPTP2RX1P2RX7P2RX4TMPRSS4
SCHEMBL8172368 0.80 CA12 (0.64) MAPTP2RX1P2RX7P2RX4TMPRSS4
SCHEMBL11002386 0.78 KDR (0.82) KDRCA1CA2CA9
SCHEMBL16628060 0.78 CA12 (0.66) MAPTP2RX1P2RX7P2RX4KDR

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
CN-112759564-B Diaryl urea compound and its prepn and medicinal use 中国医学科学院药物研究所 2023-09-26 CN disclosed
CN-112759564-A Diaryl urea compound and its preparation method and medicinal use 中国医学科学院药物研究所 2021-05-07 CN disclosed