SCHEMBL6060993

SCHEMBL6060993

CCCCCNc1ccc2c(c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
ABL1 P00519 1/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
AVPR2 P30518 1/20 0.44
ADRA2A P08913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7788835 0.97 ABL1 (0.49) ALDH1A1MAPTKDM4EGAAABL1
SCHEMBL13911196 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL23174566 0.84 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL11935019 0.82 STK17A (0.51) ALDH1A1MAPTKDM4EGAAPOLB
SCHEMBL1931259 0.81 ABL1 (0.50) ALDH1A1MAPTABL1POLBKMT2A
SCHEMBL7212426 0.80 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EGAAPOLB
SCHEMBL9068819 0.79 ABL1 (0.43) ALDH1A1MAPTKDM4EGAAABL1
SCHEMBL355896 0.78 NPC1 (0.44) ALDH1A1MAPTKDM4EGAAPOLB
SCHEMBL11941006 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAABL1
SCHEMBL11940784 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAPOLB

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-1680447-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-07-19 EP disclosed
WO-2005040212-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-05-06 WO disclosed