SCHEMBL5983933

SCHEMBL5983933

CC(C)OB(O)c1ccccc1-c1nnn(CC(C)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5389054 0.91 MEN1 (0.39) MEN1KMT2APKMHTTALDH1A1
SCHEMBL5394055 0.88 PKM (0.40) MEN1KMT2APKMHTTALDH1A1
SCHEMBL7774902 0.76 RAB9A (0.50) MEN1KMT2APKMHTTALDH1A1
SCHEMBL5983929 0.76 TDP1 (0.36) MEN1KMT2ANPSR1RECQLLTA4H
SCHEMBL7772783 0.74 FYN (0.43) MEN1KMT2APKMHTTALDH1A1
SCHEMBL5400790 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8783166 0.70 ABCG2 (0.39) MEN1KMT2APKMHTTALDH1A1
SCHEMBL7053357 0.62 PKM (0.59) MEN1KMT2APKMHTTALDH1A1
SCHEMBL5394050 0.62 TDP1 (0.40) MEN1KMT2ARAB9ALTA4HSLC6A3
SCHEMBL5389044 0.61 ESR1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2

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-1660463-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES Dipharma S.p.A. (IT) 2006-05-31 EP disclosed
WO-2005014560-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES DIPHARMA S.P.A. (IT) 2005-02-17 WO disclosed