SCHEMBL170906

SCHEMBL170906

ONc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 1/20 0.51
TMPRSS4 Q9NRS4 2/20 0.49
KDR P35968 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TRPV1 Q8NER1 1/20 0.42
PDE2A O00408 2/20 0.42
IDO1 P14902 1/20 0.41
BACE1 P56817 1/20 0.40
MAOB P27338 1/20 0.40
KIF11 P52732 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL11406449 0.83 KIF11 (0.46) MEN1KMT2ATSHRTMPRSS4TRPV1
SCHEMBL9226482 0.79 MEN1 (0.47) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL21621721 0.79 MEN1 (0.47) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL19661475 0.78 ALDH1A1 (0.46) MEN1KMT2ATSHRBACE1KIF11
Hydrochloric Acid SCHEMBL3640197 0.78 IDO1 (0.47) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL17671209 0.78 HDAC1 (0.54) MEN1KMT2ATRPV1CHRNA7
SCHEMBL3618813 0.77 MEN1 (0.61) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL20656065 0.76 MEN1 (0.45) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL20560277 0.76 MEN1 (0.55) MEN1KMT2ATSHRTMPRSS4KDR
SCHEMBL5518568 0.76 MEN1 (0.55) MEN1KMT2ATSHRTMPRSS4KDR

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
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed