SCHEMBL29573161

SCHEMBL29573161

CCCCc1ccccc1NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
TLR8 Q9NR97 2/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC16A3 O15427 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL7446162 1.00 POLB (0.44) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL1723028 0.98 POLB (0.42) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL1495175 0.94 LIPG (0.50) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL28282712 0.92 LIPG (0.49) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL7438728 0.88 ALDH1A1 (0.46) POLBALDH1A1GAAMAPTTDP1
Hydrochloric Acid SCHEMBL4915526 0.86 ALDH1A1 (0.44) POLBALDH1A1GAAMAPTTDP1
SCHEMBL6938190 0.85 F7 (0.44) MAPTLIPG
SCHEMBL14785273 0.83 CYP3A4 (0.46) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL28033756 0.83 POLB (0.37) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL1954254 0.82 POLB (0.54) POLBCYP3A4CYP2D6CYP2C9ALDH1A1

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-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed