SCHEMBL17985127

SCHEMBL17985127

N#CC1CCC(=Nc2ccccc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LTA4H P09960 1/20 0.32
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL17985128 0.89 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2
SCHEMBL17985131 0.89 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2
SCHEMBL16620443 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16620267 0.80 SMN1; SMN2 (0.38) KDM4EALDH1A1KMT2A
SCHEMBL17985152 0.80 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL17985151 0.80 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL16620306 0.76 USP2 (0.35) KDM4EALDH1A1KMT2A
SCHEMBL8744151 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8743954 0.75 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL8744057 0.75 ALDH1A1 (0.33) KDM4EALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066486-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2021-07-20 US disclosed
US-20200157253-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2020-05-21 US disclosed
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US disclosed
US-20160237179-A1 Polymers Functionalized With Imine Compounds Containing A Cyano Group BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed