SCHEMBL7940439

SCHEMBL7940439

Bc1ccc(C(=O)N2CCN(c3ncc(C)cc3C3CC3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A7 Q99884 2/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 2/20 0.37
NTSR1 P30989 1/20 0.37
PDE2A O00408 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2366178 0.89 KDM4E (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7934118 0.85 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14687163 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27829805 0.80 OPRK1 (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2366042 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27892670 0.79 OPRK1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14686750 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2366602 0.77 SLC6A7 (0.42) KDM4EALDH1A1MEN1KMT2ASLC6A7
SCHEMBL19446933 0.77 LMNA (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14687002 0.77 TRPC6 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A

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-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 WO disclosed