SCHEMBL29947757

SCHEMBL29947757

CNc1cccc(N(C)c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
DHFR P00374 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.41
MCL1 Q07820 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 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
SCHEMBL12424686 0.82 SIGMAR1 (0.49) SIGMAR1DHFRMEN1KMT2AKDM1A
SCHEMBL1414206 0.79 SIGMAR1 (0.57) SIGMAR1DHFRALDH1A1
SCHEMBL12048739 0.79 SIGMAR1 (0.50) SIGMAR1DHFRMCL1EGFRTSHR
SCHEMBL29467773 0.78 DHFR (0.42) SIGMAR1DHFRMEN1KMT2AMCL1
SCHEMBL14465459 0.78 SIGMAR1 (0.49) SIGMAR1DHFRMCL1
SCHEMBL12048709 0.78 SIGMAR1 (0.49) SIGMAR1DHFRMCL1SLC6A2SLC6A4
SCHEMBL12258277 0.77 DHFR (0.49) SIGMAR1DHFRMCL1TSHRALDH1A1
SCHEMBL1683320 0.75 SIGMAR1 (0.63) SIGMAR1DHFRMCL1TSHRALDH1A1
SCHEMBL12048742 0.75 DHFR (0.45) SIGMAR1DHFRMEN1KMT2ACYP3A4
SCHEMBL12048744 0.74 DHFR (0.47) SIGMAR1DHFRKMT2AMCL1ALDH1A1

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-115260041-A Novel anti-aging agent and preparation method thereof 王兴路 2022-11-01 CN disclosed