SCHEMBL8780659

SCHEMBL8780659

CC[N+]1(C)CCCCCC1.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
BBOX1 O75936 2/20 0.31
KMT2A Q03164 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
SCHEMBL1719160 1.00 KDM4E (0.38) KDM4ETP53TSHRCTDSP1CHRNB2
SCHEMBL382837 0.97 KDM4E (0.34) KDM4ETP53BBOX1
SCHEMBL372419 0.89
SCHEMBL2866854 0.89 KDM4E (0.44) KDM4ETP53TSHRCTDSP1CHRNB2
SCHEMBL7607070 0.89 KDM4E (0.44) KDM4ETP53TSHRCTDSP1CHRNB2
SCHEMBL10851035 0.86 KDM4E (0.42) KDM4ETP53TSHRCTDSP1CHRNB2
Bromide SCHEMBL9328011 0.86 TP53 (0.46) KDM4ETP53TSHRCTDSP1CHRNB2
Fluoride Ion SCHEMBL30330915 0.86 KDM4E (0.42) KDM4ETP53TSHRCTDSP1CHRNB2
Water SCHEMBL4080458 0.86 KDM4E (0.42) KDM4ETP53TSHRCTDSP1CHRNB2
Hydrochloric Acid SCHEMBL9198276 0.86 KDM4E (0.42) KDM4ETP53TSHRCTDSP1CHRNB2

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
EP-0628585-B1 Advancement catalyst containing epoxy resin compositions CIBA GEIGY (CH) 1997-06-04 EP disclosed