SCHEMBL14977997

SCHEMBL14977997

CCCCCCN=C1N(C)CCN1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GBA1 P04062 3/20 0.41
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
GSK3B P49841 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL14978002 0.98 KDM4E (0.40) KDM4ELMNAGBA1GNAI3GNAO1
SCHEMBL14977998 0.92 KDM4E (0.40) KDM4ELMNAGBA1GNAI3GNAO1
SCHEMBL5749616 0.91 INMT (0.32) KDM4ELMNAGBA1
SCHEMBL5748660 0.91 INMT (0.32) KDM4ELMNAGBA1
SCHEMBL5748137 0.83 INMT (0.35) KDM4ELMNAGBA1
SCHEMBL5747791 0.83 INMT (0.35) KDM4ELMNAGBA1
SCHEMBL5747811 0.80 INMT (0.37)
SCHEMBL14978007 0.79 GBA1 (0.33) KDM4ELMNAGBA1GNAI3GNAO1
SCHEMBL5935353 0.79 INMT (0.36)
SCHEMBL5748367 0.76 INMT (0.37)

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-8450478-B2 Cyclic guanidine ionic liquid NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2013-05-28 US disclosed