SCHEMBL28575980

SCHEMBL28575980

CC(CN1CCN(C(=O)OC(C)(C)C)CC1)=C(CC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
STS P08842 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
POLB P06746 2/20 0.45
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL28578470 0.84 KMT2A (0.60) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL28578472 0.84 KMT2A (0.60) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL5819280 0.81 KMT2A (0.64) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL5815052 0.79 KMT2A (0.63) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL30921533 0.75 ALDH1A1 (0.58) KMT2AMEN1HTTSMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL28570021 0.74 SLC2A1 (0.39) SMN1; SMN2CHRM3POLBALDH1A1LMNA
SCHEMBL30921511 0.74 PARP1 (0.41) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL5536182 0.74 VEGFA (0.68) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL2932582 0.74 VEGFA (0.62) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL1256025 0.74 KMT2A (0.92) KMT2AMEN1HTTSMN1; SMN2NPSR1

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-112661751-B Heterocyclic compounds as BCL-2 inhibitors 南京天印健华医药科技有限公司 2024-06-14 CN disclosed
CN-112661751-A Heterocyclic compounds as BCL-2 inhibitors 南京天印健华医药科技有限公司 2021-04-16 CN disclosed