SCHEMBL12615420

SCHEMBL12615420

C[C](C)c1ccnc(-n2cccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.37
KDM5A P29375 11/20 0.37
KDM5B Q9UGL1 9/20 0.37
KDM2B Q8NHM5 5/20 0.35
PIK3CA P42336 1/20 0.34
COMT P21964 1/20 0.34
KDM4A O75164 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL2270385 0.80 KDM4C (0.54) KDM4CKDM5AKDM5BKDM2BPIK3CA
SCHEMBL21004236 0.79 LOXL2 (0.34) KDM4CKDM5AKDM5BKDM2BPIK3CA
SCHEMBL19608629 0.79 CYP1A2 (0.47) KDM4CKDM5AKDM5BKDM2BPIK3CA
SCHEMBL2269172 0.78 JMJD6 (0.54) KDM4CKDM5AKDM5BPIK3CA
SCHEMBL11983624 0.75 CCR1 (0.52)
SCHEMBL31329261 0.75 CCR1 (0.52)
SCHEMBL28767708 0.72 LMNA (0.57) LRRK2
SCHEMBL27716763 0.71 LMNA (0.44)
SCHEMBL14909322 0.71 GRIN2D (0.46) COMT
SCHEMBL26663329 0.71 ALDH1A1 (0.38) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 EP claimed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 WO claimed
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 EP disclosed
EP-3534958-A1 INHIBITORS OF GANGLIOSIDES METABOLISM FOR THE TREATMENT OF MOTOR NEURON DISEASES ICM - Institut du Cerveau et da la Moelle Epinière (FR) 2019-09-11 EP disclosed
EP-3377908-A1 BIOMARKER OF POLYCYSTIC KIDNEY DISEASE AND USES THEREOF Genzyme Corporation (US) 2018-09-26 EP disclosed
EP-3177932-A2 BIOMARKERS OF POLYCYSTIC KIDNEY DISEASE AND USES THEREOF Genzyme Corporation (US) 2017-06-14 EP disclosed
WO-2016022500-A2 BIOMARKERS OF POLYCYSTIC KIDNEY DISEASE AND USES THEREOF GENZYME CORPORATION (US) 2016-02-11 WO disclosed
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 EP disclosed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 WO disclosed
EP-2685986-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2014-01-22 EP disclosed
WO-2012129084-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-09-27 WO disclosed