SCHEMBL7490372

SCHEMBL7490372

CC(=O)Nc1ccc(N2CCCNCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
CRBN Q96SW2 2/20 0.51
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
MAPK7 Q13164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
DDB1 Q16531 1/20 0.46
CLK2 P49760 3/20 0.46
DYRK1A Q13627 3/20 0.46
CLK3 P49761 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SYK P43405 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 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
SCHEMBL24645772 0.86 MAPT (0.67) MAPTKDM4ECRBNKCNQ3KCNQ2
SCHEMBL5238314 0.80 UBE2T (0.48) MAPTKDM4EALDH1A1KMT2ARAB9A
SCHEMBL7488327 0.80 GAA (0.59) KDM4ECRBNMEN1KMT2AGAA
SCHEMBL14456792 0.79 SYK (0.48) CRBNKCNQ3KCNQ2MAPK7DDB1
SCHEMBL50482 0.79 MAPT (0.69) MAPTKDM4EKCNQ3KCNQ2ALDH1A1
SCHEMBL1743189 0.78 IKBKB (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5204132 0.77 RAB9A (0.62) MAPTKDM4ECRBNMEN1KMT2A
SCHEMBL7494810 0.77 ALOX12 (0.47) KDM4ECRBNMEN1KMT2AGAA
SCHEMBL17541609 0.76 SRC (0.51) MAPTKDM4EMAPK7ALDH1A1SRC
SCHEMBL5202077 0.76 KCNH2 (0.49) KDM4EALDH1A1KMT2ARAB9A

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-1243268-A1 MEDICINAL COMPOSITION Nippon Shinyaku Co., Ltd. (JP) 2002-09-25 EP disclosed
EP-1156045-A1 AMIDE DERIVATIVES AND DRUG COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2001-11-21 EP disclosed