SCHEMBL2852329

SCHEMBL2852329

O=C(NCCc1c(Cl)cccc1Cl)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.49
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KLKB1 P03952 4/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2852519 0.89 TAAR1 (0.59) TAAR1ALDH1A1SMN1; SMN2KLKB1NPC1
SCHEMBL2854712 0.86 TAAR1 (0.54) TAAR1ALDH1A1SMN1; SMN2KLKB1NPC1
SCHEMBL2859353 0.86 TAAR1 (0.66) TAAR1ALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL2863128 0.83 TAAR1 (0.47) TAAR1NPC1GAARAB9APOLB
SCHEMBL2852630 0.83 TAAR1 (0.52) TAAR1ALDH1A1NPC1GAARAB9A
SCHEMBL2853080 0.82 LMNA (0.50) ALDH1A1SMN1; SMN2KLKB1NPC1RAB9A
SCHEMBL2857813 0.82 TAAR1 (0.55) TAAR1KLKB1NPC1GAARAB9A
SCHEMBL2848393 0.82 TAAR1 (0.48) TAAR1ALDH1A1SMN1; SMN2KLKB1NPC1
SCHEMBL2858437 0.81 TAAR1 (0.42) TAAR1ALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL2860106 0.81 KLKB1 (0.52) ALDH1A1SMN1; SMN2KLKB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed