SCHEMBL9979979

SCHEMBL9979979

CNCCN(CCOC)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
RAB9A P51151 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL10289399 0.84 PIK3CD (0.48) PIK3CDRAB9A
SCHEMBL25633209 0.84 PRMT3 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL5819829 0.82 PIK3CD (0.36) PIK3CDRAB9A
SCHEMBL7368745 0.80 PRMT3 (0.33) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL24577158 0.77 ADH1B (0.34) PIK3CD
SCHEMBL19889818 0.77 TSHR (0.36) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL12703399 0.76 KCNA5 (0.43) PIK3CDRAB9A
SCHEMBL12225829 0.76 PRMT3 (0.40) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL5535647 0.74 PIK3CD (0.40) PIK3CDRAB9A
SCHEMBL13995359 0.74 PIK3CD (0.50) PIK3CDRAB9A

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
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed