Sugi Predict

Sugi Predict / Compounds / SCHEMBL3790735

SCHEMBL3790735

SCHEMBL3790735

O=C(Nc1cccc2cc3ccccc3cc12)NC12CC3CC(C1)CC(NC(=O)Nc1cccc4cc5ccccc5cc14)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.54
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3799290 0.89 EPHX2 (0.58) EPHX2KDM4EMEN1GAAMAPT
SCHEMBL3794376 0.84 EPHX2 (0.51) EPHX2
SCHEMBL3791377 0.81 EPHX2 (0.55) EPHX2KDM4EMEN1ALDH1A1GAA
SCHEMBL3788548 0.81 KDM4E (0.50) EPHX2KDM4EALDH1A1MAPT
SCHEMBL3789018 0.80 EPHX2 (0.57) EPHX2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3796561 0.79 EPHX2 (0.58) EPHX2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4982856 0.78 MEN1 (0.46) EPHX2KDM4EMEN1ALDH1A1GAA
SCHEMBL3792448 0.77 EPHX2 (0.56) EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3808293 0.72 EPHX2 (0.47) EPHX2
SCHEMBL6565549 0.71 EPHX2 (1.00) EPHX2KDM4EALDH1A1MAPT

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