SCHEMBL31310568

SCHEMBL31310568

CSc1ccc(Nc2ccccc2CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.41
GSK3B P49841 3/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STK10 O94804 3/20 0.37
SLK Q9H2G2 3/20 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
SCHEMBL28290543 0.82 MAPT (0.51) ALDH1A1KDM1AMAPTMEN1KMT2A
SCHEMBL28549525 0.81 FABP4 (0.47) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL7166613 0.79 PTGS2 (0.55) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL5786086 0.79 PTGS2 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29110685 0.79 MAPT (0.55) POLBALDH1A1KDM1AMAPTMEN1
SCHEMBL31310616 0.79 MAPKAPK2 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5968364 0.75 SIRT2 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8604577 0.73 FFAR1 (0.50) KMT2ASLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL31310589 0.73 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28978391 0.73 CA2 (0.51) TSHRCYP1A2

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-119118850-A Method for preparing amino phenethyl alcohol compound by reforming indole compound structure 中国科学院兰州化学物理研究所 2024-12-13 CN disclosed