SCHEMBL22958739

SCHEMBL22958739

c1ccc(-c2ccccc2-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)cc5c3N4c3ccccc3O5)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
P2RX4 Q99571 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32
PTBP1 P26599 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL22958696 0.96 MGLL (0.35) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958716 0.96 MGLL (0.37) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958767 0.94 MGLL (0.34) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958738 0.94 MAPT (0.37) NPSR1MAPTSMN1; SMN2P2RX4MEN1
SCHEMBL22958747 0.93 MGLL (0.35) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958651 0.93 ATM (0.34) MGLLNPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22958653 0.93 MGLL (0.33) MGLLNPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22958660 0.93 MGLL (0.37) MGLLNPSR1MAPTSMN1; SMN2P2RX4
SCHEMBL22958699 0.93 ATM (0.34) MGLLNPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22958776 0.92 SMN1; SMN2 (0.38) NPSR1MAPTSMN1; SMN2ALDH1A1MEN1

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