SCHEMBL28291597

SCHEMBL28291597

CC(OC=O)c1c[nH]c2cc(C(N)=O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
SPR P35270 1/20 0.39
HTR1A P08908 4/20 0.39
HTR7 P34969 4/20 0.39
HTR6 P50406 4/20 0.39
HTR1B P28222 3/20 0.39
HTR2C P28335 2/20 0.39
HTR5A P47898 2/20 0.39
CYP1A2 P05177 2/20 0.39
HTR1D P28221 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1E P28566 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL28872613 0.90 HTR1A (0.47) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL28687269 0.88 SPR (0.40) PLGPLAUSPRHTR1AHTR1B
SCHEMBL27785494 0.81 HTR2C (0.40) SPRHTR1AHTR1BHTR2CCYP1A2
SCHEMBL28043663 0.81 IMPDH2 (0.38) PLGPLAUHTR2CMEN1KMT2A
SCHEMBL27526971 0.80 NR4A2 (0.44) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL27528319 0.79 CYP2A6 (0.51) KDM4EALDH1A1IMPDH2
SCHEMBL27550865 0.79 NR4A2 (0.46) SPRMEN1KMT2AKDM4EALDH1A1
SCHEMBL28658779 0.79 GPR84 (0.43) HTR1AHTR2C
SCHEMBL27552422 0.79 ALDH1A1 (0.35) HTR2CCYP1A2KDM4EALDH1A1
SCHEMBL28819111 0.78 HTR1A (0.47) HTR1AHTR1BHTR2CHTR1DHSD17B10

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
CN-109748840-A A kind of synthetic method of 2- substituted indole derivative 中国医学科学院药物研究所 2019-05-14 CN disclosed