SCHEMBL28928166

SCHEMBL28928166

COc1cc(OC)cc(C(NCc2ccccc2)c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.50
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.43
PTPN1 P18031 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC10A1 Q14973 1/20 0.41
DRD2 P14416 1/20 0.41
TACR1 P25103 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
MAOB P27338 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL28928167 1.00 CASR (0.50) CASRTDP1TSHRPTPN1L3MBTL1
SCHEMBL28662971 0.90 CASR (0.61) CASRTDP1TSHRL3MBTL1MEN1
SCHEMBL28662969 0.90 CASR (0.61) CASRTDP1TSHRL3MBTL1MEN1
SCHEMBL28663869 0.88 TDP1 (0.59) CASRTDP1TSHRL3MBTL1MEN1
SCHEMBL28663870 0.88 TDP1 (0.59) CASRTDP1TSHRL3MBTL1MEN1
SCHEMBL28657560 0.82 SLC6A2 (0.50) TDP1L3MBTL1MEN1KMT2ASLC10A1
SCHEMBL28657559 0.82 SLC6A2 (0.50) TDP1L3MBTL1MEN1KMT2ASLC10A1
SCHEMBL28666566 0.77 MYC (0.40) TACR1
SCHEMBL28669067 0.76 AKT1 (0.46) L3MBTL1MEN1KMT2ADRD2
SCHEMBL28669069 0.76 AKT1 (0.46) L3MBTL1MEN1KMT2ADRD2

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-113683556-B Chiral aryl N-heteroaryl methylamine and preparation method thereof 湖北滋兰生物医药科技有限公司 2024-06-07 CN disclosed
CN-113683556-A Chiral aryl N-heteroaryl methylamine and preparation method thereof 湖北滋兰生物医药科技有限公司 2021-11-23 CN disclosed