SCHEMBL8669022

SCHEMBL8669022

CNc1ccc[c]c1C(=O)NCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.41
HPGD P15428 5/20 0.39
MLYCD O95822 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL8666487 0.83 GAA (0.35) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL8667895 0.81 L3MBTL1 (0.42) KMT2AGAALMNAHPGDPOLB
SCHEMBL7990577 0.81 KMT2A (0.47) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL8672251 0.80 ALDH1A1 (0.38) KMT2ALMNAMLYCDPOLBNPSR1
SCHEMBL8672377 0.79 ALDH1A1 (0.38) KMT2AGAAHSD17B10HPGDPOLB
SCHEMBL8670976 0.78 TSHR (0.50) HPGDPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL14947473 0.75 ADRA1D (0.59) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL5175506 0.74 KDM4E (0.39) GAAHSD17B10HPGDPOLBNPSR1
SCHEMBL4983838 0.72 KMT2A (0.51) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL159472 0.68 KMT2A (0.63) KMT2AGAAHSD17B10LMNAHPGD

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
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed