SCHEMBL6201493

SCHEMBL6201493

O=C(CC(c1ccc(Cl)cc1)c1cnccn1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
PLOD2 O00469 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6202065 0.84 POLB (0.42) KMT2AGAAMGAMSIMGAM2
SCHEMBL6201652 0.80 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL6201073 0.78 CYP19A1 (0.53) LMNAALDH1A1MEN1USP2KMT2A
SCHEMBL6204077 0.76 MGAM (0.50) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL6202787 0.75 MGAM (0.52) LMNAALDH1A1MEN1USP2KMT2A
SCHEMBL7363506 0.73 TBXAS1 (0.49) LMNASMN1; SMN2
SCHEMBL6201491 0.73 TSHR (0.50) LMNAALDH1A1MEN1USP2KMT2A
SCHEMBL6204707 0.72 MGAM (0.49) LMNAALDH1A1MEN1USP2KMT2A
SCHEMBL7355559 0.71 TBXAS1 (0.44) LMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL14073817 0.71 PLOD2 (0.59) LMNAALDH1A1MEN1KMT2APLOD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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