SCHEMBL27655422

SCHEMBL27655422

ClNc1cccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PABPC1 P11940 3/20 0.53
EIF4H Q15056 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
HDAC6 Q9UBN7 1/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
OPRK1 P41145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL27943481 0.86 HTR1A (0.63) HTTSMN1; SMN2HDAC6HTR1AADRA1D
SCHEMBL2478157 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2736333 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL30504562 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL29260245 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL28828326 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL6311928 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL20027756 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL349575 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL349576 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1832925-B New P2X7 receptor avtagonists and their use ASTRAZENECA AB 2010-05-05 CN disclosed
CN-1832925-A New p2x7 receptor avtagonists and their use ASTRAZENECA AB (SE) 2006-09-13 CN disclosed
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 CN disclosed