SCHEMBL20172267

SCHEMBL20172267

NN1c2ccccc2Oc2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.31
TOP1 P11387 1/20 0.31
GABRA1 P14867 1/20 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
SCHEMBL20172217 0.89 PIM1 (0.38) P2RX4SMN1; SMN2MAPTNPSR1PIM1
SCHEMBL10586348 0.82 P2RX4 (0.48) P2RX4SMN1; SMN2MAPTNPSR1MAOA
SCHEMBL20308279 0.76 ALDH1A1 (0.38) P2RX4SIRT1NPC1RAB9AALDH1A1
SCHEMBL17952722 0.75 P2RX4 (0.37) P2RX4SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL11544354 0.72 MAOA (0.39) SMN1; SMN2NPSR1IDO1ACHEKDM4E
SCHEMBL20172204 0.71 SHMT2 (0.37) P2RX4MAPTKDM4EALDH1A1
SCHEMBL20172203 0.71 P2RX4 (0.37) P2RX4SMN1; SMN2SIRT1NPC1
SCHEMBL21693057 0.71 P2RX4 (0.37) P2RX4SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL13023980 0.69 MAPT (0.36) P2RX4SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL17490040 0.69 CYP1A2 (0.34) ALDH1A1

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-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed