SCHEMBL2857154

SCHEMBL2857154

CN(Cc1ccccc1)C(=O)c1cnn(C)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HSP90AA1 P07900 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
APOBEC3A P31941 2/20 0.50
SPR P35270 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL2852963 0.83 PSEN1 (0.51) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL2854321 0.75 MAPT (0.53) KMT2AHSP90AA1ALDH1A1MEN1SPR
SCHEMBL2850014 0.73 ALDH1A1 (0.50) KMT2AHSP90AA1ALDH1A1MEN1SPR
SCHEMBL3455287 0.72 HSP90AA1 (0.66) KMT2AHSP90AA1HPGDALDH1A1MEN1
SCHEMBL7856179 0.72 KMT2A (0.73) KMT2AHSP90AA1HPGDALDH1A1MEN1
SCHEMBL2852033 0.72 LMNA (0.52) KMT2AHPGDALDH1A1MEN1KDM4E
SCHEMBL18740189 0.72 KMT2A (0.48) KMT2AHSP90AA1HPGDALDH1A1MEN1
SCHEMBL2852998 0.71 NPC1 (0.59) KMT2AHPGDALDH1A1KDM4EMAPT
SCHEMBL2859853 0.71 KMT2A (0.40) KMT2AHPGDALDH1A1MEN1HTT
SCHEMBL10330504 0.71 KMT2A (1.00) KMT2AHSP90AA1HPGDALDH1A1MEN1

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 disclosed