SCHEMBL29954328

SCHEMBL29954328

O=Cc1c(C2CCCCC2)[nH]c2c(F)cc(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
MAP2 P11137 1/20 0.34
HRH4 Q9H3N8 6/20 0.33
APOL1 O14791 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
CSF1R P07333 1/20 0.31
FFAR2 O15552 1/20 0.30

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
SCHEMBL29955909 0.93 MAP2 (0.36) ARMAP2HRH4APOL1MEN1
SCHEMBL29953370 0.86 APOL1 (0.35) APOL1
SCHEMBL29950851 0.86 MEN1 (0.34) ARMEN1GLAMAPTALOX15
SCHEMBL29951429 0.84 APOL1 (0.33) APOL1SMN1; SMN2
SCHEMBL29954981 0.81 AR (0.35) AR
SCHEMBL29951772 0.81 DYRK1A (0.40) NOS1NOS2NOS3FFAR2
SCHEMBL29957613 0.81 NOS2 (0.40) NOS1NOS2NOS3
SCHEMBL29954118 0.79 CHUK (0.35) ARHRH4MEN1GLAMAPT
SCHEMBL29954997 0.79 APOL1 (0.36) APOL1
SCHEMBL29951787 0.78 GPR17 (0.34) NOS1NOS2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed