SCHEMBL9801649

SCHEMBL9801649

CC1CN(CCCN)CCN1CCCN

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2D6 P10635 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 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
SCHEMBL9801120 0.94 KCNJ1 (0.38) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL9801172 0.92 MAPK1 (0.40) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL19681647 0.92 GNAI3 (0.42) KCNJ1KCNH2SIGMAR1
SCHEMBL9801938 0.91 KCNJ1 (0.37) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL9801539 0.90 MAPK1 (0.48) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL9801503 0.89 SIGMAR1 (0.42) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL8736521 0.84 ALOX15 (0.48) KCNJ1KCNH2CYP2D6SIGMAR1MAPK1
SCHEMBL18912885 0.84 ALOX15 (0.48) KCNJ1KCNH2CYP2D6SIGMAR1MAPK1
SCHEMBL9801249 0.83 KEAP1 (0.33) KEAP1SMN1; SMN2KCNJ1KCNH2CYP2D6
SCHEMBL9801323 0.82 KEAP1 (0.41) KEAP1SMN1; SMN2CYP2D6SIGMAR1HSD17B10

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
US-7217447-B2 Ink-jet recording sheet FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed