SCHEMBL20172203

SCHEMBL20172203

NN1c2ccccc2Oc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11420554 0.79 KDM4E (0.43) P2RX4NISCHTP53SMN1; SMN2
SCHEMBL20172204 0.79 SHMT2 (0.37) P2RX4TP53
SCHEMBL10586348 0.78 P2RX4 (0.48) P2RX4SMN1; SMN2
SCHEMBL21691991 0.75 P2RX4 (0.37) P2RX4TP53
SCHEMBL9102529 0.72 LMNA (0.42) P2RX4MEN1KMT2ASMN1; SMN2
SCHEMBL20172267 0.71 P2RX4 (0.37) P2RX4SIRT1NPC1SMN1; SMN2
SCHEMBL20172217 0.71 PIM1 (0.38) P2RX4SMN1; SMN2
SCHEMBL13023981 0.69 LMNA (0.36) P2RX4TP53SMN1; SMN2
SCHEMBL9104148 0.69 P2RX4 (0.40) P2RX4MEN1KMT2A
SCHEMBL20172210 0.68 NPC1 (0.35) P2RX4MEN1KMT2ANPC1TP53

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