SCHEMBL4633189

SCHEMBL4633189

Clc1cccnc1-c1ncccc1Cl.[Pd]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
S100A4 P26447 3/20 0.45
CDC25B P30305 2/20 0.45
CNR2 P34972 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2306238 0.97 DPP4 (0.48) DPP4S100A4CDC25BCNR2TDP1
SCHEMBL8688609 0.94 DPP4 (0.47) DPP4S100A4CDC25BCNR2TDP1
SCHEMBL2975854 0.80 CNR2 (0.46) DPP4S100A4CDC25BCNR2TDP1
SCHEMBL20821396 0.80 DPP4 (0.65) DPP4S100A4CDC25BTDP1TDP2
SCHEMBL2507724 0.79 KDM4E (0.54) DPP4TDP1BLMLMNAKDM4E
SCHEMBL28622449 0.79 DPP4 (0.49) DPP4S100A4CDC25BTDP1TDP2
SCHEMBL31223211 0.79 CNR2 (0.45) DPP4S100A4CDC25BCNR2TDP1
SCHEMBL30343535 0.79 TRPV1 (0.46) DPP4S100A4CDC25BCNR2LMNA
SCHEMBL29103948 0.78
SCHEMBL28098630 0.78

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
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP disclosed
EP-0698605-B1 Thiophene derivatives and polymers thereof JAPAN RES DEV CORP (JP) 2001-11-21 EP disclosed
US-5734065-A Thiophene derivative and the polymer thereof and methods for production thereof RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-03-31 US disclosed
EP-0698605-A1 Thiophene derivatives and polymers thereof RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-02-28 EP disclosed