SCHEMBL24912879

SCHEMBL24912879

Cc1ccc2c(C3BC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.54
HTR2A P28223 1/20 0.44
NR4A2 P43354 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
SLC6A4 P31645 6/20 0.36
KIF11 P52732 1/20 0.36
APP P05067 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL12367411 0.77 IDO1 (0.54) IDO1HTR2ANR4A2SLC6A4APP
SCHEMBL4676876 0.76 IDO1 (0.50) IDO1HTR2ANR4A2SLC6A4APP
SCHEMBL12367426 0.74 IDO1 (0.51) IDO1HTR2ANR4A2SLC6A4APP
SCHEMBL4676883 0.74 HTR2C (0.62) IDO1HTR2ASLC6A4APPDRD2
SCHEMBL23010845 0.72 APP (0.64) IDO1SLC6A4APPDRD2
SCHEMBL8269303 0.71 HTR2A (0.51) IDO1HTR2ANR4A2MEN1KMT2A
SCHEMBL12352 0.70 ATM (0.56) IDO1HTR2ANR4A2MEN1KMT2A
SCHEMBL29555842 0.70 ATM (0.56) IDO1HTR2ANR4A2MEN1KMT2A
SCHEMBL17258135 0.70 IDO1 (1.00) IDO1
SCHEMBL18926994 0.70 IDO1 (0.56) IDO1HTR2ANR4A2SLC6A4APP

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
WO-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 WO disclosed