SCHEMBL18809093

SCHEMBL18809093

C=C(NC)c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
NOS2 P35228 2/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
PLAU P00749 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
FDPS P14324 1/20 0.37
CTSA P10619 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
CSF1R P07333 1/20 0.34
FLT3 P36888 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL12282452 0.79 KDM4C (0.46) KDM4EKMT2ANOS2MEN1NOS1
SCHEMBL14367970 0.78 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL13403895 0.77 KDR (0.48)
SCHEMBL21475739 0.77 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL171083 0.77 CTSA (0.48) UHRF1CCR1CCR5CCR8FDPS
SCHEMBL29580736 0.77 CTSA (0.48) UHRF1CCR1CCR5CCR8FDPS
SCHEMBL26528884 0.77 CBLB (0.34) ALDH1A1CSF1RFLT3NPC1RAB9A
SCHEMBL27268194 0.76 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL25898606 0.75 NOS3 (0.44) NOS2NOS3ALDH1A1L3MBTL1LMNA
SCHEMBL23416482 0.74 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KDM4E

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-2675274-B1 SORAFENIB DERIVATIVES AS sEH INHIBITORS UNIV CALIFORNIA (US) 2017-05-03 EP disclosed