SCHEMBL20172217

SCHEMBL20172217

NN1c2ccccc2Oc2cnccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.38
P2RX4 Q99571 6/20 0.37
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL20172267 0.89 P2RX4 (0.37) PIM1P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL10586348 0.82 P2RX4 (0.48) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL17127038 0.78 P2RX4 (0.34) PIM1P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL21693057 0.75 P2RX4 (0.37) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL13023978 0.72 MAPT (0.36) PIM1P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL11544354 0.72 MAOA (0.39) PIM1SMN1; SMN2NPSR1
SCHEMBL20172204 0.71 SHMT2 (0.37) P2RX4MAPT
SCHEMBL17952722 0.71 P2RX4 (0.37) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL20172203 0.71 P2RX4 (0.37) P2RX4SMN1; SMN2
SCHEMBL17489712 0.69 CA12 (0.36) PIM1

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