SCHEMBL17489845

SCHEMBL17489845

Nc1cccc2c1oc1cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.42
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 3/20 0.42
IDO1 P14902 1/20 0.42
PSMB5 P28074 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NR4A2 P43354 1/20 0.39
MMP14 P50281 1/20 0.38
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL15673140 0.83 AHR (0.47) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL18227060 0.79 MAOA (0.51) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL13509566 0.79 L3MBTL1 (0.46) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL17968227 0.79 KDM4E (0.41) LIMK1HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL20308237 0.79 PSMD14 (0.47) LIMK1HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL2342912 0.77 ALDH1A1 (0.48) LIMK1MEN1KMT2AALDH1A1MAPT
SCHEMBL24958515 0.77 KDM4E (0.44) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL20172123 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL20172329 0.77 ALDH1A1 (0.43) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL16282373 0.76 MEN1 (0.39) LIMK1HSP90AA1MEN1KMT2AALDH1A1

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 4 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
EP-2980182-A1 Condensed cyclic compound and organic light-emitting device including the same Samsung Electronics Co., Ltd. (KR) 2016-02-03 EP disclosed