SCHEMBL31460263

SCHEMBL31460263

CNC(=O)C12CCC(CNC1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 3/20 0.33
GLA P06280 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL31141158 0.86 THRB (0.46) THRBALDH1A1HTTNPSR1CHRNB2
SCHEMBL30706809 0.80 GLA (0.37) ALDH1A1HTTNPSR1CHRNB2CHRNA4
SCHEMBL30125489 0.79 ARG1 (0.31) ALDH1A1HTTNPSR1
SCHEMBL25041122 0.77 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL31043942 0.77 MEN1 (0.35) ALDH1A1HTTNPSR1LMNAKMT2A
Hydrochloric Acid SCHEMBL30889338 0.76 ALDH1A1 (0.32) ALDH1A1HTT
SCHEMBL10206074 0.76 THRB (0.44) THRBALDH1A1HTTNPSR1LMNA
SCHEMBL22653530 0.75
SCHEMBL31141117 0.72 THRB (0.37) THRB
SCHEMBL2841738 0.72 THRB (0.63) THRBALDH1A1HTTNPSR1LMNA

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-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed