SCHEMBL28742385

SCHEMBL28742385

COc1nc2ccccc2cc1CCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
QPCT Q16769 1/20 0.42
LMNA P02545 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9849511 0.81 TLR8 (0.57) SOD1TSHRQPCT
SCHEMBL6470178 0.74 TLR8 (0.51)
SCHEMBL7081073 0.73 TLR8 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL7081070 0.73 TLR8 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL11247886 0.71 POLB (0.68) SOD1KMT2AQPCTLMNA
SCHEMBL28623269 0.71 CYP19A1 (0.55)
SCHEMBL10919184 0.70 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL28742405 0.69 CYP19A1 (0.68) SOD1
SCHEMBL24852090 0.69 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL24853011 0.69 TLR8 (0.45) KMT2AMEN1ALDH1A1TSHRHSD17B10

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-1251577-A Fused ring compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 CN disclosed