SCHEMBL28129336

SCHEMBL28129336

CC(NC(=N)N)c1ccc(C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.47
PDE2A O00408 8/20 0.45
GPR139 Q6DWJ6 1/20 0.40
PRCP P42785 3/20 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
SCHEMBL23116504 0.77 MASP2 (0.40) ACACB
SCHEMBL1286910 0.77 ESR1 (0.46)
SCHEMBL28488377 0.77 LMNA (0.43) GPR139
SCHEMBL29074394 0.76 IDH1 (0.39) ACACBPDE2A
Hydrochloric Acid SCHEMBL28489104 0.75 LMNA (0.42) GPR139
SCHEMBL29074393 0.75 HTT (0.51)
SCHEMBL837643 0.74 HDAC3 (0.53)
SCHEMBL7020082 0.74 HDAC3 (0.53)
SCHEMBL29074405 0.72 PRCP (0.50) ACACBPDE2APRCP
SCHEMBL7732006 0.71 ACACB (0.61) ACACB

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
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed