SCHEMBL6938134

SCHEMBL6938134

C=CCCCc1ccccc1NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC16A3 O15427 5/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL5043210 0.79 ALDH1A1 (0.45) ALDH1A1POLBHPGDSLC16A3LMNA
SCHEMBL6761344 0.77 ADRA2C (0.45) ALDH1A1TDP1POLBL3MBTL1GAA
SCHEMBL6938190 0.77 F7 (0.44) MAPT
SCHEMBL23766361 0.76 ALDH1A1 (0.42) TLR8ALDH1A1TDP1USP2HPGD
Hydrochloric Acid SCHEMBL27904214 0.76 ADRA2C (0.44) ALDH1A1TDP1POLBL3MBTL1GAA
SCHEMBL29573161 0.76 POLB (0.44) TLR8ALDH1A1TDP1POLBL3MBTL1
SCHEMBL7446162 0.76 POLB (0.44) TLR8ALDH1A1TDP1POLBL3MBTL1
SCHEMBL19285031 0.76 TLR8 (0.53) TLR8ALDH1A1TDP1L3MBTL1USP2
SCHEMBL15187595 0.76 ALDH1A1 (0.38) ALDH1A1TDP1POLBL3MBTL1GAA
SCHEMBL6939595 0.74 HTR2A (0.48) ALDH1A1L3MBTL1LMNA

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-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed