SCHEMBL7619906

SCHEMBL7619906

Cc1cccc(-c2nc(CCCCCCN3C(=O)c4ccccc4C3=O)c[nH]2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL1435788 0.77 MAPT (0.49) GAATDP1L3MBTL1LMNATSHR
SCHEMBL308320 0.73 ALDH1A1 (0.52) ALDH1A1HPGDGAATDP1L3MBTL1
SCHEMBL7743461 0.71 MAPT (0.58) ALDH1A1HPGDGAATDP1L3MBTL1
SCHEMBL8544110 0.70 TDP1 (0.49) HPGDTDP1L3MBTL1LMNATSHR
SCHEMBL9447444 0.70 PKM (0.61) ALDH1A1HPGDGAAL3MBTL1LMNA
SCHEMBL8189201 0.70 TDP1 (0.66) ALDH1A1HPGDGAATDP1L3MBTL1
SCHEMBL28856174 0.69 CCR1 (0.47) ALDH1A1KDM4E
SCHEMBL28932912 0.69 TDP1 (0.56) TDP1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL9372170 0.69 MAPT (0.51) TDP1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL28856048 0.68 CCR1 (0.43) ALDH1A1HPGDLMNATSHRSMN1; 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-1230248-A2 TRANSITION METAL COMPLEXES ATTACHED TO A POLYMER VIA A FLEXIBLE CHAIN Therasense, Inc. (US) 2002-08-14 EP disclosed
WO-2001036660-A2 TRANSITION METAL COMPLEXES ATTACHED TO A POLYMER VIA A FLEXIBLE CHAIN THERASENSE, INC. (US) 2001-05-25 WO disclosed