SCHEMBL23657362

SCHEMBL23657362

CN(C)CCCOc1ccc(SNCCCc2cn(C)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.53
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTR6 P50406 3/20 0.42
LSS P48449 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29824343 0.81 HTR5A (0.52) HTR5AKMT2AMEN1HTR6
SCHEMBL23648897 0.81 HTR5A (0.52) HTR5AKMT2AMEN1HTR6
SCHEMBL23657359 0.79 SLC6A4 (0.58) HTR5AHTR6HTR2A
SCHEMBL23657403 0.78 HRH3 (0.54) LSSKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL23657406 0.76 HTR2A (0.50) KMT2AMEN1LSSHTR2AALDH1A1
SCHEMBL23657177 0.75 SLC6A4 (0.55) HTR5AHTR6HTR2A
SCHEMBL23657212 0.75 HRH3 (0.55) LSSKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL12850609 0.71 HTR2A (0.65) HTR6HTR2A
SCHEMBL23657195 0.70 MTNR1A (0.47)
SCHEMBL23657351 0.69 HTR1A (0.53) KMT2AMEN1HTR6HTR2AKDM4E

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-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed