SCHEMBL15087738

SCHEMBL15087738

C[C@H](O)Cn1cc(-c2ccccc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NAMPT P43490 1/20 0.50
LIG1 P18858 1/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SRC P12931 1/20 0.48
GGPS1 O95749 1/20 0.48
HDAC8 Q9BY41 6/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47

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 0.87 CYP19A1 (0.60) CYP19A1MGAMGAASIMGAM2
SCHEMBL20644665 0.84 ESRRG (0.55) CYP19A1MGAMGAASIMGAM2
SCHEMBL18625968 0.84 CYP19A1 (0.57) CYP19A1MGAMGAASIMGAM2
SCHEMBL18625977 0.83 CYP19A1 (0.55) CYP19A1MGAMGAASIMGAM2
SCHEMBL30503332 0.83 CYP19A1 (0.55) CYP19A1MGAMGAASIMGAM2
SCHEMBL30531808 0.78 KDM4E (0.53) CYP19A1MGAMGAASIMGAM2
SCHEMBL13977955 0.78 CYP19A1 (0.71) CYP19A1NPC1RAB9AMEN1CASP3
SCHEMBL3777940 0.78 CYP19A1 (0.66) CYP19A1NPC1RAB9AMEN1CASP3
SCHEMBL21286183 0.77 NAMPT (0.57) CYP19A1NPC1RAB9ANAMPTHDAC8
SCHEMBL16206235 0.77 CYP19A1 (0.70) CYP19A1NPC1RAB9AMEN1CASP3

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-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 EP disclosed