SCHEMBL9636677

SCHEMBL9636677

Cc1ncccc1[N]CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
PLAU P00749 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31

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
SCHEMBL7003109 0.73 L3MBTL1 (0.39) P2RX7PLAUMKNK1MKNK2L3MBTL1
SCHEMBL9251633 0.72 CYP2C9 (0.42) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10660840 0.71
SCHEMBL25991171 0.71 PLAU (0.40) P2RX7PLAUMKNK1MKNK2L3MBTL1
SCHEMBL24754894 0.70
SCHEMBL20920913 0.70
SCHEMBL2608518 0.70
SCHEMBL19673838 0.68 NOS3 (0.40) P2RX7PLAUMKNK1MKNK2L3MBTL1
SCHEMBL15233740 0.68 PLAU (0.38) P2RX7PLAUMKNK1MKNK2L3MBTL1
SCHEMBL1850348 0.67 ADRA2A (0.48) PLAUHSD17B10L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278411-B1 GEL-TYPE CHELATING RESINS AND A PROCESS FOR REMOVAL OF MULTIVALENT, ALKALINE EARTH OR HEAVY METAL CATIONS FROM SOLUTIONS THE DOW CHEMICAL COMPANY (US) 1992-07-01 EP disclosed
US-4895905-A BEAD HAVING LESS CROSSLINKING AND MORE ELASTICITY IN THE SHELL THAN IN THE CORE; STRENGHT; REGENERATION; OSMOTIC SHOCK RESISTANCE THE DOW CHEMICAL COMPANY (US) 1990-01-23 US disclosed
EP-0278411-A2 Gel-type chelating resins and a process for removal of multivalent, alkaline earth or heavy metal cations from solutions THE DOW CHEMICAL COMPANY (US) 1988-08-17 EP disclosed