SCHEMBL20016705

SCHEMBL20016705

C=C/C=C\C(=C/C=C)NC(=O)Nc1ccc(C)c(OCCN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
QPCT Q16769 1/20 0.45
HTR2A P28223 6/20 0.44
HTR2C P28335 6/20 0.44
KDR P35968 1/20 0.42
BRAF P15056 1/20 0.42
MAPK14 Q16539 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20016709 0.81 HRH3 (0.39) QPCTHTR2AHTR2CKDRBCHE
SCHEMBL20016704 0.79 EPHX2 (0.70) EPHX2HTR2AHTR2CKDR
SCHEMBL2683503 0.77 EPHX2 (0.59) EPHX2HTR2AHTR2CKDRBRAF
SCHEMBL22125326 0.75 HTR2A (0.59) EPHX2QPCTHTR2AHTR2CBRAF
SCHEMBL2682353 0.75 EPHX2 (0.64) EPHX2HTR2AHTR2CBRAFMAPK14
SCHEMBL2681361 0.73 BRAF (0.77) EPHX2HTR2AHTR2CKDRBRAF
SCHEMBL14621614 0.72 POLB (0.56) BCHEACHEKDM4EMAPTALOX15
SCHEMBL12463246 0.70 MTOR (0.54)
SCHEMBL14937415 0.67 TSHR (0.62) EPHX2HTR2AHTR2CKDRBRAF
SCHEMBL10220711 0.66 HTR2A (0.56) EPHX2QPCTHTR2AHTR2CKDR

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
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed