SCHEMBL11374139

SCHEMBL11374139

Cc1cc(N)c(N)cc1SC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 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 5/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
CD44 P16070 1/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL16707477 0.84 USP2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL16707476 0.79 USP2 (0.41) USP2USP8USP5USP4USP7
SCHEMBL11173991 0.79 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL11374071 0.74 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11373307 0.74 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11367939 0.74 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL19773972 0.74 USP2 (0.38) USP2USP8USP5USP4USP7
SCHEMBL11368495 0.74 CD44 (0.46) ALDH1A1MAPTCD44CYP3A4TSHR
SCHEMBL11369230 0.74 USP2 (0.42) USP2USP8USP5USP4USP7
SCHEMBL6302735 0.74 USP2 (0.42) USP2USP8USP5USP4USP7

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