SCHEMBL29951548

SCHEMBL29951548

CCc1ccc(-c2[nH]c3c(F)c(F)ccc3c2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
APOL1 O14791 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
ERN1 O75460 1/20 0.31
PARP1 P09874 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
ALOX15 P16050 1/20 0.30
LMNA P02545 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
SCHEMBL2562664 1.00 MPL (0.33) MPLGCGRMAPK14APOL1NOS3
SCHEMBL2562293 0.85 PTGS2 (0.36) MPLAPOL1SMN1; SMN2ERN1
SCHEMBL2561242 0.85 APOL1 (0.40) MAPK14APOL1PARP1PARP3LMNA
SCHEMBL15332657 0.84 CNR1 (0.39) GCGRMAPK14CTSVCTSL
SCHEMBL15331079 0.83 PARP1 (0.35) APOL1NOS3NOS2PARP1PARP3
SCHEMBL2561583 0.82 EIF4A3 (0.36) GCGRMAPK14APOL1NOS3NOS2
SCHEMBL29954926 0.81 GCGR (0.34) GCGRMAPK14CYP2C19CYP3A4CYP2C9
SCHEMBL15331517 0.81 PARP1 (0.36) MPLMAPK14APOL1ERN1PARP1
SCHEMBL29952478 0.81 APOL1 (0.44) APOL1
SCHEMBL2554353 0.80 ERN1 (0.34) NPC1RAB9ASMN1; SMN2CTSVCTSL

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