SCHEMBL22958696

SCHEMBL22958696

c1ccc(-c2ccccc2-c2ccc(-c3ccc4c(c3)Oc3cccc5c3N4c3ccccc3O5)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDE6D O43924 1/20 0.35
P2RX4 Q99571 2/20 0.33
ELANE P08246 2/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL22958747 0.97 MGLL (0.35) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958699 0.97 ATM (0.34) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958651 0.97 ATM (0.34) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958739 0.96 MGLL (0.34) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958650 0.95 ATM (0.33) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958647 0.94 PDE6D (0.33) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958731 0.94 PDE6D (0.33) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958700 0.94 MAPT (0.38) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958767 0.93 MGLL (0.34) MGLLNPSR1MAPTSMN1; SMN2PDE6D
SCHEMBL22958702 0.92 MAPT (0.37) MGLLNPSR1MAPTSMN1; SMN2P2RX4

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-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed