SCHEMBL18230673

SCHEMBL18230673

CC(C)(C=NCCCN)CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.30
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
SCHEMBL21049522 0.94 KEAP1 (0.41) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15512227 0.89 KDM4E (0.36) KEAP1SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL27922097 0.81 MEN1 (0.33) SMN1; SMN2KDM4EALDH1A1
SCHEMBL9936058 0.79 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL15512437 0.74 POLB (0.40) KDM4EALDH1A1
SCHEMBL9957368 0.71 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL28020854 0.70 SMN1; SMN2 (0.40) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL342075 0.68 SMN1; SMN2 (0.40) KEAP1SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL28301264 0.66 MEN1 (0.35) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL3978411 0.65 SMN1; SMN2 (0.43) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1

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
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed
WO-2016180840-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2016-11-17 WO disclosed