SCHEMBL18634243

SCHEMBL18634243

C1=CN(Cc2ccc(CN3CCOCC3)cc2)c2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
LTA4H P09960 4/20 0.45
CYP2A13 Q16696 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL18634022 0.84 MC4R (0.57) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL4551705 0.80 POLB (0.47) LMNA
SCHEMBL18634104 0.78 POLB (0.36) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL18634107 0.75 CYP19A1 (0.40) TP53TSHR
SCHEMBL15467001 0.74 HRH3 (0.87) HRH3SMN1; SMN2CYP2A13HIF1AEPAS1
SCHEMBL18634027 0.74 ALDH1A1 (0.42) HRH3SMN1; SMN2TSHRLTA4HALDH1A1
SCHEMBL18634150 0.74 NOD1 (0.35) MEN1KMT2A
SCHEMBL6200777 0.73 SIGMAR1 (0.71) HRH3SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL102338 0.73 SIGMAR1 (0.71) HRH3SMN1; SMN2NPC1RAB9ATSHR
Water SCHEMBL1702298 0.71 SIGMAR1 (0.68) HRH3SMN1; SMN2NPC1RAB9ATSHR

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
EP-1885718-B1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE LIFE TECHNOLOGIES CORP (US) 2017-03-15 EP disclosed