SCHEMBL3799290

SCHEMBL3799290

O=C(Nc1cccc2ccccc12)NC12CC3CC(C1)CC(NC(=O)Nc1cccc4ccccc14)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.58
KDM4E B2RXH2 8/20 0.50
MAPT P10636 2/20 0.50
GSK3B P49841 1/20 0.50
EPHX1 P07099 1/20 0.50
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3790735 0.89 EPHX2 (0.54) EPHX2KDM4EMAPTGAASMN1; SMN2
SCHEMBL3788548 0.84 KDM4E (0.50) EPHX2KDM4EMAPTTSHRMAPK1
SCHEMBL3794376 0.82 EPHX2 (0.51) EPHX2TSHRMAPK1RAB9A
SCHEMBL3808293 0.80 EPHX2 (0.47) EPHX2TSHRMAPK1RAB9A
SCHEMBL26240414 0.78 KDM4E (0.56) KDM4EMAPTKMT2ATSHR
SCHEMBL6154919 0.77 CYP2C19 (0.48) EPHX2KDM4EGAAKMT2AMAPK1
SCHEMBL3796561 0.76 EPHX2 (0.58) EPHX2MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL3789018 0.75 EPHX2 (0.57) EPHX2MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL14503273 0.75 SMN1; SMN2 (0.66) KDM4EMAPTGAASMN1; SMN2KMT2A
SCHEMBL6566257 0.75 EPHX2 (0.71) EPHX2KDM4EMAPTTSHRMAPK1

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