SCHEMBL25811147

SCHEMBL25811147

CC(C)(C)c1ccc(N(c2ccc3nc(-c4ccccc4)oc3c2)c2ccc3nc(-c4ccccc4)oc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GFER P55789 1/20 0.49
CASP3 P42574 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP6 Q9GZR1 3/20 0.46
SENP8 Q96LD8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL23667885 0.96 HDAC6 (0.53) HDAC6NPC1RAB9AGFERCASP3
SCHEMBL25811169 0.90 TP53 (0.47) HDAC6NPC1RAB9AGFERCASP3
SCHEMBL25499094 0.87 HDAC6 (0.41) HDAC6NPC1RAB9AGFERCASP3
SCHEMBL25811125 0.86 NPC1 (0.52) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL23387560 0.86 NPC1 (0.52) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL23667741 0.86 NPC1 (0.52) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL24205686 0.86 NPC1 (0.51) HDAC6NPC1RAB9AGFERCASP3
SCHEMBL24205726 0.86 NPC1 (0.51) HDAC6NPC1RAB9AGFERCASP3
SCHEMBL13133820 0.86 NPC1 (0.53) HDAC6NPC1RAB9AGFERSMN1; SMN2
SCHEMBL13133822 0.86 NPC1 (0.53) HDAC6NPC1RAB9AGFERSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309339-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230309339-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-11706943-B2 Organic electroluminescent element and method for producing same HODOGAYA CHEMICAL CO., LTD. (JP) 2023-07-18 US disclosed
US-11706943-B2 Organic electroluminescent element and method for producing same HODOGAYA CHEMICAL CO., LTD. (JP) 2023-07-18 US disclosed
EP-4207947-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME Hodogaya Chemical Co., Ltd. (JP) 2023-07-05 EP disclosed