SCHEMBL9621862

SCHEMBL9621862

O=C(NC(=O)c1c(F)cccc1Cl)Nc1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.62
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 6/20 0.51
TLR8 Q9NR97 4/20 0.50
PPIA P62937 1/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9621859 0.91 MEN1 (0.50) TLR7NPC1KDM4EALDH1A1MAPK1
SCHEMBL10613743 0.85 NPC1 (0.57) TLR7NPC1KDM4EALDH1A1MAPK1
SCHEMBL8840288 0.84 MEN1 (0.59) TLR7NPC1MEN1KMT2AGAA
SCHEMBL8840363 0.84 MEN1 (0.62) TLR7NPC1MEN1KMT2AGAA
SCHEMBL9622394 0.84 TDP1 (0.59) TLR7NPC1KDM4EALDH1A1MEN1
SCHEMBL8840315 0.83 TLR7 (0.55) TLR7NPC1MEN1KMT2AGAA
SCHEMBL8840308 0.82 TLR7 (0.54) TLR7NPC1KDM4EALDH1A1MAPK1
SCHEMBL11078178 0.81 JAK2 (0.59) TLR7NPC1MEN1KMT2AGAA
SCHEMBL6508233 0.80 TLR7 (0.50) TLR7NPC1KDM4EALDH1A1MAPK1
SCHEMBL8840302 0.79 MEN1 (0.65) TLR7NPC1KDM4EMEN1KMT2A

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
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US claimed