SCHEMBL30964183

SCHEMBL30964183

O=C(CCc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.74
ALDH1A1 P00352 6/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 2/20 0.59
USP2 O75604 2/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 3/20 0.59
GPR183 P32249 1/20 0.57
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TSHR P16473 1/20 0.53

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
SCHEMBL22500726 1.00 MAPT (0.74) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL22500248 0.86 MAPT (1.00) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12359455 0.78 NR1H4 (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1996378 0.77 HCAR2 (0.60) MAPTHTTPOLBNPC1RAB9A
SCHEMBL13675936 0.77 RAB9A (0.76) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7156743 0.75 SMN1; SMN2 (1.00) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL22500570 0.75 SMN1; SMN2 (0.76) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30964122 0.75 ALDH1A1 (0.76) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7934478 0.75 MAPT (0.68) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7090298 0.74 MAPT (1.00) MAPTALDH1A1KMT2AMEN1LMNA

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-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN disclosed