SCHEMBL2582356

SCHEMBL2582356

CC(C)CNC(=O)c1noc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DYRK1A Q13627 3/20 0.44
HIF1A Q16665 3/20 0.44
RAB9A P51151 6/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.40
NAMPT P43490 2/20 0.40
KDM6B O15054 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PIM1 P11309 1/20 0.39
BAD Q92934 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 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
SCHEMBL2576123 0.81 TSHR (0.46) KMT2AMEN1HIF1ASMN1; SMN2ALDH1A1
SCHEMBL2576273 0.80 ALDH1A1 (0.48) KMT2AMEN1HIF1ARAB9AHPGD
SCHEMBL2585927 0.80 WNT1 (0.46) DYRK1AHIF1ASMN1; SMN2ALDH1A1HTT
SCHEMBL2585532 0.78 HIF1A (0.52) KMT2ADYRK1AHIF1ARAB9AHPGD
SCHEMBL2589092 0.78 HIF1A (0.43) DYRK1AHIF1ANAMPTKDM4CHDAC4
SCHEMBL2585707 0.76 RAB9A (0.54) KMT2AMEN1HIF1ARAB9ANPC1
SCHEMBL2586722 0.74 WNT1 (0.49) DYRK1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2589522 0.74 EPHX2 (0.56) KMT2AMEN1HIF1ARAB9AHPGD
SCHEMBL2585139 0.74 LMNA (0.58) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL2581794 0.74 HIF1A (0.60) HIF1ARAB9AHPGDNPC1SMN1; SMN2

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
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed