SCHEMBL31479488

SCHEMBL31479488

Cn1ncc2c(Cl)cc(C3CNC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.36
BPTF Q12830 3/20 0.36
CHRNB2 P17787 7/20 0.34
CHRNA4 P43681 7/20 0.34
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CYP2D6 P10635 5/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 5/20 0.32
KCNH2 Q12809 4/20 0.31
AKT1 P31749 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL15730130 0.72 PDE2A (0.39) PTGER3
Hydrochloric Acid SCHEMBL21382155 0.72 PDE1C (0.47) PTGER3CHRNB2CHRNA4CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL30567960 0.72 PDE1C (0.47) PTGER3CHRNB2CHRNA4CYP2D6SLC6A2
SCHEMBL31479444 0.72 TP53 (0.38)
SCHEMBL31479787 0.72
SCHEMBL31479818 0.72
SCHEMBL16617267 0.69 NMT1 (0.46) PTGER3IDO1TDO2
SCHEMBL31479209 0.69 NMT1 (0.46) PTGER3IDO1TDO2
Hydrochloric Acid SCHEMBL31638109 0.69 PDE1C (0.47) PTGER3
SCHEMBL11981471 0.68 CHRNB2 (0.47) CHRNB2CHRNA4CYP2D6SLC6A2SLC6A4

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed