SCHEMBL9940516

SCHEMBL9940516

CC(C)(C)c1ccc2c(c1)nc1n2CCCC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TP53 P04637 15/20 0.52
LMNA P02545 7/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3435026 0.80 MEN1 (0.62) MEN1KMT2ATP53LMNAMAPT
SCHEMBL19936511 0.79 SMN1; SMN2 (0.62) MEN1KMT2ATP53LMNAMAPT
SCHEMBL11725268 0.77 POLB (0.57) MEN1KMT2ATP53LMNAMAPT
SCHEMBL829880 0.77 MEN1 (0.62) MEN1KMT2ATP53LMNAMAPT
SCHEMBL1426313 0.77 MEN1 (0.62) MEN1KMT2ATP53LMNAMAPT
SCHEMBL25001244 0.75 TP53 (0.60) MEN1KMT2ATP53LMNAMAPT
SCHEMBL29722013 0.75 SMN1; SMN2 (0.60) MEN1KMT2ATP53LMNAMAPT
SCHEMBL3021566 0.75 SMN1; SMN2 (0.60) MEN1KMT2ATP53LMNAMAPT
SCHEMBL3435382 0.75 MEN1 (0.59) MEN1KMT2ATP53LMNAMAPT
SCHEMBL3437821 0.73 MEN1 (0.58) MEN1KMT2ATP53LMNAMAPT

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-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed