SCHEMBL2854712

SCHEMBL2854712

O=C(NCCc1cccc(Cl)c1)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.48
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLKB1 P03952 1/20 0.46
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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 0.90 TAAR1 (0.59) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2859353 0.89 TAAR1 (0.66) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2863128 0.88 TAAR1 (0.47) TAAR1NPC1RAB9AGAAPOLB
SCHEMBL2857813 0.88 TAAR1 (0.55) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL2852329 0.86 TAAR1 (0.49) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2848658 0.86 LMNA (0.46) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL2852630 0.84 TAAR1 (0.52) TAAR1ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL2856221 0.84 TAAR1 (0.49) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2852714 0.82 TAAR1 (0.48) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2850489 0.82 TAAR1 (0.53) TAAR1KMT2ASMN1; SMN2ALDH1A1MEN1

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