SCHEMBL28518329

SCHEMBL28518329

COC(=O)C1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
LMNA P02545 3/20 0.70
HTT P42858 1/20 0.70
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 1/20 0.48
BPTF Q12830 1/20 0.48
PANK3 Q9H999 2/20 0.47
MAPT P10636 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL6871006 0.85 KMT2A (0.74) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL25195435 0.85 KMT2A (0.74) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL12639925 0.84 LMNA (0.76) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL18291738 0.83 MEN1 (0.71) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL1977246 0.82 LMNA (1.00) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5190497 0.81 LMNA (0.76) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4098087 0.80 MEN1 (0.66) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2002846 0.79 LMNA (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL21588395 0.78 KMT2A (0.63) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4098272 0.77 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003690-B Preparation method of antibacterial material for resin coating 莆田市涵江区初日化工有限公司 2021-02-05 CN claimed
CN-108003690-B Preparation method of antibacterial material for resin coating 莆田市涵江区初日化工有限公司 2021-02-05 CN disclosed