SCHEMBL18625977

SCHEMBL18625977

CCC(C)Cn1cc(-c2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
KDR P35968 3/20 0.45
EPHB4 P54760 2/20 0.45
TEK Q02763 2/20 0.45
MEN1 O00255 1/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SRC P12931 1/20 0.44
GGPS1 O95749 1/20 0.44
PTGS2 P35354 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL18625821 0.85 CYP19A1 (0.60) CYP19A1NPC1RAB9AMGAMGAA
SCHEMBL18625968 0.83 CYP19A1 (0.57) CYP19A1NPC1RAB9AMGAMGAA
SCHEMBL15087738 0.83 CYP19A1 (0.57) CYP19A1NPC1RAB9AMGAMGAA
SCHEMBL23386949 0.80 GPR55 (0.57) MGAMGAASIMGAM2KDR
SCHEMBL3777940 0.80 CYP19A1 (0.66) CYP19A1NPC1RAB9AKDREPHB4
Bromide SCHEMBL1887515 0.78 CYP19A1 (0.64) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL16264704 0.77 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL12022152 0.77 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL13977955 0.76 CYP19A1 (0.71) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL21286183 0.76 NAMPT (0.57) CYP19A1NPC1RAB9AKDREPHB4

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-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed