SCHEMBL16258989

SCHEMBL16258989

NC1CCCCc2c1[nH]c1ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 1/20 0.60
RB1 P06400 7/20 0.57
SIRT1 Q96EB6 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
NR2E1 Q9Y466 1/20 0.49
HTR7 P34969 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL1871473 0.95 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
Hydrochloric Acid SCHEMBL4023634 0.94 BRD3 (0.65) BRD3RB1SIRT1SIRT2ADRA1D
Methane SCHEMBL28731797 0.94 BRD3 (0.65) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL31497454 0.88 SIRT1 (0.60) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL8793149 0.88 SIRT1 (0.60) BRD3RB1SIRT1SIRT2ADRA1D
Nazlinin SCHEMBL31662852 0.87 HTR2A (0.51) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL14930690 0.81 BRD3 (0.60) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL4153830 0.79 CYP2D6 (0.58) SIRT1SIRT2CYP2D6HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL4138356 0.78 CYP2D6 (0.57) SIRT1SIRT2CYP2D6HSD17B10ALDH1A1
SCHEMBL8241408 0.78 SIRT1 (0.92) BRD3RB1SIRT1SIRT2MAPKAPK2

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-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed