SCHEMBL28937348

SCHEMBL28937348

c1nc2c3c(ccc2[nH]1)CNCC3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.41
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PNMT P11086 6/20 0.36
MAOB P27338 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ASIC3 Q9UHC3 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7846846 0.77 BRD4 (0.40) LMNAMEN1POLBKMT2A
SCHEMBL23840126 0.77 NOS3 (0.39) LMNAMEN1POLBKMT2A
SCHEMBL30475394 0.75 LMNA (0.46) PNMTLMNAMEN1POLBKMT2A
SCHEMBL28937350 0.73 CD44 (0.41) CD44CHRM2CHRM4CHRM5CHRM1
SCHEMBL30174343 0.73 CD44 (0.41) CD44CHRM2CHRM4CHRM5CHRM1
SCHEMBL4667412 0.67 LMNA (0.35) LMNAMEN1POLBKMT2A
SCHEMBL21219144 0.67 ESR1 (0.41) CD44CHRM2CHRM4CHRM5CHRM1
SCHEMBL29697758 0.67 GRIA1 (0.46) LMNAMEN1POLBKMT2A
SCHEMBL25368902 0.66 QPCT (0.51) CD44
SCHEMBL16064614 0.65 CD44 (0.46) CD44PNMTMAOBADRA2AADRA2B

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-115594673-A Estrogen receptor modulators and uses thereof 扬子江药业集团南京海陵药业有限公司(CN) 2023-01-13 CN disclosed
CN-115594673-A Estrogen receptor modulators and uses thereof 扬子江药业集团南京海陵药业有限公司(CN) 2023-01-13 CN disclosed