SCHEMBL5798756

SCHEMBL5798756

Nc1ccc2ccc(N3CCOCC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
KDM4E B2RXH2 2/20 0.58
NSD2 O96028 1/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
LGMN Q99538 3/20 0.56
GAA P10253 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 2/20 0.50
AKR1C3 P42330 1/20 0.49
PRKDC P78527 2/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20631 0.81 MAPT (0.61) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL4745958 0.80 AKR1C3 (0.69) MAPTSMN1; SMN2LMNAHTTKDM4E
Hydrochloric Acid SCHEMBL16209945 0.79 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL20631313 0.79 LMNA (0.61) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL6992774 0.78 ADRA2C (0.61) MAPTSMN1; SMN2LMNAHTTLGMN
SCHEMBL224567 0.78 ADRA2C (0.61) MAPTSMN1; SMN2LMNAHTTLGMN
SCHEMBL30893007 0.78 ALDH1A1 (0.59) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL29371026 0.78 ADRA2C (0.61) MAPTSMN1; SMN2LMNAHTTLGMN
Hydrochloric Acid SCHEMBL14742169 0.77 ADRA2C (0.59) MAPTSMN1; SMN2LMNAHTTLGMN
SCHEMBL14906622 0.76 MAPT (0.51) MAPTSMN1; SMN2GAANPC1RAB9A

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed