SCHEMBL6202787

SCHEMBL6202787

O=C(CC(c1ccccc1)c1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
PLOD2 O00469 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CACNA1G O43497 1/20 0.44
P2RX7 Q99572 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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 0.95 MGAM (0.49) MGAMGAASIMGAM2PLOD2
SCHEMBL6203752 0.84 MGAM (0.46) MGAMGAASIMGAM2PLOD2
SCHEMBL6202785 0.75 NPC1 (0.46) GAAPLOD2LMNAALDH1A1KDM4E
SCHEMBL6201493 0.75 LMNA (0.46) MGAMGAASIMGAM2PLOD2
SCHEMBL6201073 0.75 CYP19A1 (0.53) MGAMGAASIMGAM2LMNA
SCHEMBL9877764 0.74 ALDH1A1 (0.51) LMNAALDH1A1KDM4EPKMCYP2C19
SCHEMBL9877648 0.73 ALDH1A1 (0.48) LMNAALDH1A1KDM4EPKMMEN1
SCHEMBL838069 0.73 ALDH1A1 (0.53) PLOD2LMNAALDH1A1KDM4EPKM
SCHEMBL11096738 0.72 ALDH1A1 (0.45) LMNAALDH1A1KDM4EPKMMEN1
SCHEMBL10685497 0.72 ALDH1A1 (0.49) LMNAALDH1A1KDM4EPKMCYP2C19

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