SCHEMBL6204544

SCHEMBL6204544

O=C(CC(c1ccccc1)c1ncc[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.49
GAA P10253 3/20 0.49
SI P14410 3/20 0.49
MGAM2 Q2M2H8 3/20 0.49
PDPK1 O15530 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
FPR2 P25090 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8165342 0.78 ADRA2A (0.48) RAB9AMAPTKMT2AMEN1FPR2
SCHEMBL6952503 0.73 MTOR (0.44) ADRA2AADRA2BADRA2C
SCHEMBL9386046 0.73 NISCH (0.44) ADRA2AADRA2BADRA2C
SCHEMBL6201073 0.72 CYP19A1 (0.53) MGAMGAASIMGAM2PDPK1
SCHEMBL955399 0.72 ADRA2B (0.47) L3MBTL1FPR2ADRA2AADRA2BADRA2C
SCHEMBL30620467 0.71 PDPK1 (0.60) GAAPDPK1MAPTL3MBTL1POLB
SCHEMBL29110668 0.71 PDPK1 (0.60) GAAPDPK1MAPTL3MBTL1POLB
SCHEMBL28615060 0.70 POLB (0.59) PDPK1MAPTL3MBTL1POLBKMT2A
SCHEMBL954734 0.70 CHRM2 (0.45) ADRA2AADRA2BADRA2C
SCHEMBL6934137 0.70 TAAR1 (0.52) ADRA2AADRA2BADRA2C

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
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed