SCHEMBL3142020

SCHEMBL3142020

CCCc1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3CCC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPT P10636 6/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
P2RX7 Q99572 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPKAPK2 P49137 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
APP P05067 1/20 0.36
ALOX15 P16050 1/20 0.36
SNCA P37840 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3145602 0.89 CYP3A4 (0.40) MAPTGAATDP1NPC1RAB9A
SCHEMBL7982172 0.89 MAPT (0.47) ADRA2BADRA2CMAPTGAATDP1
SCHEMBL28170208 0.86 MAPT (0.55) ADRA2BADRA2CMAPTGAATDP1
SCHEMBL3148744 0.85 MEN1 (0.48) MAPTGAANPC1RAB9AMEN1
SCHEMBL13813554 0.84 ADRA2B (0.46) ADRA2BADRA2CMAPTGAAP2RX7
SCHEMBL14321012 0.83 CYP3A4 (0.42) MAPTGAATDP1NPC1RAB9A
SCHEMBL8418766 0.80 FABP4 (0.38) ADRA2BADRA2CMAPTGAATDP1
SCHEMBL14320957 0.80 LIPG (0.51) MAPTSMN1; SMN2HSD17B10LMNA
SCHEMBL11380769 0.80 LIPG (0.51) MAPTSMN1; SMN2HSD17B10LMNA
SCHEMBL8418765 0.79 SMN1; SMN2 (0.36) ADRA2BADRA2CMAPTGAAP2RX7

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
US-7642028-B2 surface layers are a polymeric composition including a resin and a cyclic polymers such as polyethylene terephthalate, acrylic acid-ethylene copolymer, styrene-co-maleic anhydride copolymer; polyhexamethylene adipamide etc. and cyclic poly(bisphenol A carbonate), cyclic poly(bisphenol C carbonate) etc. XEROX CORPORATION (US) 2010-01-05 US claimed
US-20060210894-A1 Imaging members XEROX CORPORATION 2006-09-21 US claimed