SCHEMBL9530403

SCHEMBL9530403

CSc1cc(Cc2ccc(F)cc2F)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
P2RX7 Q99572 2/20 0.38
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
AXL P30530 1/20 0.36
KEAP1 Q14145 1/20 0.36
NTRK1 P04629 4/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
DAO P14920 1/20 0.32
PLK4 O00444 1/20 0.32
PAK4 O96013 1/20 0.32

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
SCHEMBL22048748 0.70 ALPL (0.40) MPOP2RX7NTRK1PTGS1PTGS2
SCHEMBL3298107 0.69 IDO1 (0.58) MPOIDO1AGXTPTGS1PTGS2
SCHEMBL9531057 0.68 ALPL (0.40) IDO1AXLKEAP1KDM4ESMN1; SMN2
SCHEMBL16016318 0.67 MPO (0.41) MPOP2RX7IDO1AGXTNTRK1
SCHEMBL13462054 0.64 IDO1 (0.48) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL16016327 0.64 HRH4 (0.38) MPOP2RX7IDO1AGXTPTGS1
SCHEMBL16020933 0.64 SMN1; SMN2 (0.50) MPOIDO1AGXTPTGS1PTGS2
SCHEMBL9532792 0.63 PSEN1 (0.43) MPOP2RX7NTRK1PTGS1PTGS2
SCHEMBL19225191 0.63 MPO (0.40) MPOP2RX7IDO1AGXTPTGS1
SCHEMBL16016323 0.63 PTGS2 (0.42) MPOP2RX7IDO1AGXTNTRK1

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed