SCHEMBL3300367

SCHEMBL3300367

O=C1C(Cl)=C(N2CCCCC2)C(=O)c2ncccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.60
S100A4 P26447 2/20 0.59
NSD2 O96028 15/20 0.53
TDP2 O95551 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
ABL1 P00519 1/20 0.46
PLCG1 P19174 1/20 0.46
CES1 P23141 1/20 0.46
PAX8 Q06710 1/20 0.46
RIN1 Q13671 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30292918 0.94 S100A4 (0.59) CDC25BS100A4NSD2TDP2GPR55
SCHEMBL3295164 0.94 S100A4 (0.59) CDC25BS100A4NSD2TDP2GPR55
SCHEMBL7692775 0.93 CDC25B (0.67) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL7693731 0.90 CDC25B (0.66) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL7692908 0.87 CDC25B (0.71) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL7694672 0.87 CDC25B (0.65) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL17250413 0.86 NSD2 (0.68) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL17250406 0.81 NSD2 (0.68) CDC25BS100A4NSD2TDP2PLA2G1B
SCHEMBL10446114 0.80 NSD2 (0.71) NSD2TDP2GPR55PLA2G1BATG4B
SCHEMBL8568869 0.78 NSD2 (0.73) NSD2TDP2GPR55PLA2G1BATG4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015221-A1 Compound capable of cytoskeleton and induction of cell elongation and process for synthesizing the same CHEN, CHENG-SHU (TW) 2008-01-17 US claimed
CN-101104615-A Anticancer cytoskeleton inhibiting and cell elongation inducing compound and synthesis method thereof CHEN ZHENGSHU (CN) 2008-01-16 CN claimed
US-20100093794-A1 Use of a Compound in Obtaining Cytoskeleton Blockage and Cell Elongation CHAO, KUAN-YING (TW) 2010-04-15 US disclosed
US-20080015221-A1 Compound capable of cytoskeleton and induction of cell elongation and process for synthesizing the same CHEN, CHENG-SHU (TW) 2008-01-17 US disclosed
CN-101104615-A Anticancer cytoskeleton inhibiting and cell elongation inducing compound and synthesis method thereof CHEN ZHENGSHU (CN) 2008-01-16 CN disclosed