SCHEMBL29200841

SCHEMBL29200841

Cc1ccc2ccc(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.57
CD74 P04233 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
C5AR1 P21730 1/20 0.51
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CCR9 P51686 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
P2RX4 Q99571 1/20 0.45
PDE5A O76074 1/20 0.45

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
SCHEMBL30783434 1.00 MIF (0.57) MIFCD74KMT2AMEN1C5AR1
SCHEMBL10642119 0.82 KMT2A (0.64) MIFKMT2AMEN1LMNAALDH1A1
SCHEMBL6333356 0.78 BTK (0.57) KDM4ECCR9SMN1; SMN2MAPTPOLB
SCHEMBL16373457 0.77 MIF (0.49) MIFCD74KMT2AMEN1C5AR1
SCHEMBL12569581 0.76 KDM4E (0.50) ALDH1A1KDM4EHSD17B10CCR9MAPT
SCHEMBL4102488 0.75 BTK (0.42) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL679980 0.75 CYP19A1 (0.60) MIFCD74KMT2AMEN1C5AR1
SCHEMBL14823122 0.74 HTR6 (0.58) MIFCD74
SCHEMBL2798381 0.74 BTK (0.41) MIFCD74KMT2AMEN1ALDH1A1
SCHEMBL9161052 0.74 KMT2A (0.52) KMT2AMEN1LMNAALDH1A1KDM4E

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-117624043-A Preparation method of quinolinone compound 安徽中医药大学 2024-03-01 CN disclosed