SCHEMBL25848287

SCHEMBL25848287

Cc1ccc2c(c1)CN(c1cccc(N3COc4ccc(C)cc4C3)c1)CO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.54
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
RIPK1 Q13546 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACLY P53396 1/20 0.36
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2C P18825 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32

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
SCHEMBL15307677 0.95 VDR (0.60) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL12645280 0.91 VDR (0.51) VDRMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17875592 0.88 VDR (0.47) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL17589746 0.87 VDR (0.46) VDRMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL15297296 0.84 VDR (0.55) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL18960454 0.84 VDR (0.55) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL15297328 0.84 VDR (0.55) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL15297298 0.83 VDR (0.56) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL13309243 0.83 VDR (0.60) VDRMAPTGAASMN1; SMN2ADRB1
SCHEMBL17703318 0.82 VDR (0.53) VDRMAPTGAASMN1; SMN2ADRB1

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-11701922-B2 Metal or metal-plated reinforcement with sulfur polybenzoxazine-coated surface COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-07-18 US disclosed