SCHEMBL6142244

SCHEMBL6142244

CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)nc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
LSS P48449 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CCR5 P51681 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX7 Q99572 1/20 0.38
TMEM97 Q5BJF2 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
BCHE P06276 1/20 0.36
CXCR3 P49682 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL18532755 0.76 PYCR1 (0.67) PYCR1LSSMEN1KMT2AKDM4E
SCHEMBL6141786 0.74 KDM4E (0.53) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL5697692 0.72 POLB (0.46) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL6142118 0.71 HSD17B3 (0.40) MEN1KMT2A
SCHEMBL6141679 0.68 CHEK1 (0.49) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3149087 0.68 PYCR1 (0.56) PYCR1LSSMEN1KMT2AKDM4E
SCHEMBL9513831 0.67 PYCR1 (0.60) PYCR1LSSKDM4ETSHRALDH1A1
SCHEMBL15990329 0.67 PDXK (0.35) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8392169 0.66 PYCR1 (0.55) PYCR1LSSKDM4ETSHRALDH1A1
SCHEMBL3705816 0.66 AOC3 (0.50) MEN1KMT2AKDM4ERAB9ALMNA

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-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed