SCHEMBL30523461

SCHEMBL30523461

Oc1nc(NCc2ccccc2Cl)c2[nH]cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
ALOX15 P16050 1/20 0.67
HTT P42858 1/20 0.67
CDK1 P06493 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TMIGD3 P0DMS9 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
STAT3 P40763 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL16146845 1.00 LMNA (0.67) LMNAALOX15HTTCDK1PDE4A
SCHEMBL30523372 0.85 CDK1 (0.49) LMNAALOX15HTTCDK1PDE4A
SCHEMBL16146147 0.85 CDK1 (0.49) LMNAALOX15HTTCDK1PDE4A
SCHEMBL30523425 0.85 LMNA (0.67) LMNAALOX15HTTCDK1PDE4A
SCHEMBL16146479 0.85 CDK1 (0.49) LMNAALOX15HTTCDK1PDE4A
SCHEMBL16146196 0.85 CDK1 (0.69) LMNAALOX15HTTCDK1PDE4A
SCHEMBL30523429 0.85 CDK1 (0.69) LMNAALOX15HTTCDK1PDE4A
SCHEMBL16145930 0.85 LMNA (0.67) LMNAALOX15HTTCDK1PDE4A
SCHEMBL16145743 0.82 LMNA (0.48) LMNAALOX15HTTCDK1PDE4A
SCHEMBL30523377 0.82 LMNA (0.48) LMNAALOX15HTTCDK1PDE4A

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-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed