SCHEMBL4748221

SCHEMBL4748221

CCOC(=O)C=C(C)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
POLB P06746 1/20 0.53
GAA P10253 5/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 6/20 0.50
ALDH1A1 P00352 3/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
MTNR1B P49286 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL4748218 1.00 MAPT (0.53) MAPTPOLBGAALMNAMAPK1
SCHEMBL1974848 0.94 MAPT (0.51) MAPTGAALMNAMAPK1HSD17B10
SCHEMBL1717228 0.94 MAPT (0.51) MAPTGAALMNAMAPK1HSD17B10
SCHEMBL1717226 0.94 MAPT (0.51) MAPTGAALMNAMAPK1HSD17B10
SCHEMBL11760780 0.89 MAPT (0.53) MAPTPOLBGAALMNAMAPK1
SCHEMBL11715338 0.86 ALDH1A1 (0.68) MAPTPOLBLMNAMAPK1HPGD
SCHEMBL11715321 0.86 ALDH1A1 (0.68) MAPTPOLBLMNAMAPK1HPGD
SCHEMBL10862595 0.85 MAPT (0.58) MAPTLMNAMAPK1HPGDALDH1A1
SCHEMBL4768319 0.85 MAPT (0.60) MAPTPOLBGAALMNAMAPK1
SCHEMBL4768324 0.85 MAPT (0.60) MAPTPOLBGAALMNAMAPK1

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
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed