SCHEMBL11373902

SCHEMBL11373902

N#CSc1cc(N)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.47
USP8 P40818 1/20 0.47
USP5 P45974 1/20 0.47
USP4 Q13107 1/20 0.47
USP7 Q93009 1/20 0.47
ALDH1A1 P00352 7/20 0.42
MAPT P10636 7/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CASP1 P29466 2/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8131924 0.79 NPC1 (0.53) USP2USP8USP5USP4USP7
SCHEMBL2318636 0.79 USP2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL11173991 0.79 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL10412909 0.77 USP2 (0.60) USP2USP8USP5USP4USP7
SCHEMBL7760480 0.75 KDM4E (0.59) USP2USP8USP5USP4USP7
SCHEMBL11874781 0.75 PDE7A (0.53) USP2USP8USP5USP4USP7
SCHEMBL6099368 0.75 USP2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL17498342 0.74 ITGB2 (0.43) USP2ALDH1A1MAPTPOLBHPGD
SCHEMBL5069162 0.74 LMNA (0.47) USP2USP8USP5USP4USP7
SCHEMBL11673035 0.74 TDP1 (0.55) ALDH1A1MAPTPOLBKDM4ECYP3A4

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
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 US disclosed