SCHEMBL23028587

SCHEMBL23028587

O=NCCC(=O)NCCc1c[nH]nn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23028592 0.85 SMN1; SMN2 (0.31)
SCHEMBL23028599 0.82 CYP3A4 (0.50) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL23028594 0.79 CA2 (0.41) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL28103048 0.79 SMN1; SMN2 (0.43) KMT2AMEN1
SCHEMBL23028706 0.78 ST14 (0.35) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL23193939 0.77 ITGB3 (0.39) TSHRLMNA
SCHEMBL23028593 0.75 TDP1 (0.33)
SCHEMBL24015583 0.75 QPCT (0.45) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL23028589 0.74
SCHEMBL23028704 0.73 ST14 (0.35) CYP3A4CYP2D6TSHRCYP2C19KMT2A

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-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed