SCHEMBL7046486

SCHEMBL7046486

O=c1ncc2c(=O)[nH]cnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
ADORA2A P29274 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
XDH P47989 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
PARP1 P09874 10/20 0.41
ACHE P22303 1/20 0.41
GDA Q9Y2T3 1/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL29581682 0.75 ACHE (0.39) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL4628 0.73 SMN1; SMN2 (1.00) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL29793328 0.72 SMN1; SMN2 (0.96) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL7202471 0.72 SMN1; SMN2 (0.96) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL137085 0.72 SMN1; SMN2 (0.96) SMN1; SMN2LMNATSHRADORA2ASLC6A4
SCHEMBL25194691 0.72 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL2565656 0.72 SMN1; SMN2 (0.96) SMN1; SMN2LMNATSHRADORA2ASLC6A4
Allopurinol SCHEMBL6142914 0.72 SMN1; SMN2 (0.96) SMN1; SMN2LMNATSHRADORA2ASLC6A4
SCHEMBL7487801 0.72 ABL1 (0.55) SMN1; SMN2LMNATSHRADORA2ASLC6A4
SCHEMBL30545367 0.71 PIM1 (0.48) SMN1; SMN2LMNATSHRADORA2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012075562-A1 MICROSPORE TRANSFORMATION METHODOLOGY BY MACROINJECTION NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-06-14 WO disclosed
US-6696565-B2 SELF-ASSEMBLING; PHYSICAL PROPERTIES; THERMOCONDUCTIVITY PURDUE RESEARCH FOUNDATION 2004-02-24 US disclosed