SCHEMBL6203752

SCHEMBL6203752

O=C(CC(c1ccco1)c1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
PLOD2 O00469 1/20 0.41
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 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
SCHEMBL6204707 0.84 MGAM (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6202787 0.84 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6203751 0.75 MAPK1 (0.46) GAAALDH1A1LMNAKDM4EPKM
SCHEMBL9877764 0.70 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877648 0.70 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL838069 0.70 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL6202785 0.70 NPC1 (0.46) GAAALDH1A1LMNAKDM4EPKM
SCHEMBL11096738 0.69 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL10685497 0.69 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9878025 0.68 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EPKMSMN1; SMN2

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