SCHEMBL3789018

SCHEMBL3789018

O=C(Nc1ccc2cc3ccccc3cc2c1)NC12CC3CC(C1)CC(NC(=O)Nc1ccc4cc5ccccc5cc4c1)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.57
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3796561 0.96 EPHX2 (0.58) EPHX2MEN1NPC1LMNATP53
SCHEMBL3794376 0.81 EPHX2 (0.51) EPHX2RAB9A
SCHEMBL3790735 0.80 EPHX2 (0.54) EPHX2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3793044 0.76 EPHX2 (0.60) EPHX2MEN1NPC1MAPTRAB9A
SCHEMBL3799290 0.75 EPHX2 (0.58) EPHX2MEN1MAPTRAB9AKMT2A
SCHEMBL3808293 0.74 EPHX2 (0.47) EPHX2RAB9A
SCHEMBL3792448 0.73 EPHX2 (0.56) EPHX2LMNAKMT2ASMN1; SMN2
SCHEMBL1420838 0.73 EPHX2 (1.00) EPHX2
SCHEMBL3788548 0.72 KDM4E (0.50) EPHX2MAPTRAB9A
SCHEMBL11525691 0.72 MAPT (0.55) EPHX2MEN1NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO disclosed