SCHEMBL11208560

SCHEMBL11208560

Clc1nc(NSC2CCCC2)nc(NSC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11030908 0.98 PDE4A (0.46) PDE4AGAATDP1RAB9ALMNA
SCHEMBL11156838 0.98 PDE4A (0.46) PDE4AGAATDP1RAB9ALMNA
SCHEMBL11257183 0.78 PDE4A (0.46) PDE4AKMT2A
SCHEMBL11263452 0.77 PDE4A (0.49) PDE4AGAARAB9A
SCHEMBL11030790 0.76 HRH4 (0.33) SMN1; SMN2
SCHEMBL11261008 0.76 LMNA (0.42) PDE4AGAARAB9ALMNASMN1; SMN2
SCHEMBL11261428 0.74 NPSR1 (0.44) PDE4AGAARAB9ALMNASMN1; SMN2
SCHEMBL11270441 0.74 LMNA (0.41) PDE4AGAALMNASMN1; SMN2MEN1
SCHEMBL11249913 0.74 NPSR1 (0.44) PDE4AGAARAB9ALMNASMN1; SMN2
SCHEMBL10943810 0.71 TSHR (0.35) TDP1RAB9A

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-4380609-A Prevulcanization inhibitors of thio-triazine-amines for rubber MONSANTO COMPANY (US) 1983-04-19 US disclosed