SCHEMBL2589092

SCHEMBL2589092

O=C(NCC1CC1)c1noc2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 0.43
NAMPT P43490 2/20 0.42
GSK3B P49841 3/20 0.41
KCNH2 Q12809 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
GABRA5 P31644 1/20 0.41
MLLT1 Q03111 1/20 0.40
NSD2 O96028 1/20 0.40
DYRK1A Q13627 1/20 0.40
ROCK2 O75116 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2582356 0.78 KMT2A (0.46) HIF1ANAMPTGSK3BKDM4CDYRK1A
SCHEMBL2590019 0.78 HIF1A (0.68) HIF1ADYRK1A
SCHEMBL2585532 0.77 HIF1A (0.52) HIF1AGSK3BDYRK1AROCK2
SCHEMBL2576273 0.76 ALDH1A1 (0.48) HIF1AHDAC4HDAC6
SCHEMBL2585927 0.76 WNT1 (0.46) HIF1ANAMPTDYRK1AHDAC4HDAC6
SCHEMBL3524477 0.76 SCD5 (0.47) HIF1AGSK3BMLLT1HDAC4HDAC6
SCHEMBL2586722 0.76 WNT1 (0.49) NAMPTDYRK1AHDAC4HDAC6
SCHEMBL2585707 0.75 RAB9A (0.54) HIF1A
SCHEMBL2589522 0.73 EPHX2 (0.56) HIF1AKDM4CROCK2
SCHEMBL2586922 0.72 HIF1A (0.72) HIF1ANAMPT

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