SCHEMBL28480648

SCHEMBL28480648

c1ccc(N(c2cc3ccccc3s2)c2cc3ccccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.44
CYP2A6 P11509 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
APP P05067 2/20 0.38
AGXT P21549 1/20 0.38
ADRB2 P07550 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL24368430 0.85 APP (0.41) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL23437607 0.84 MAPT (0.36) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL18382441 0.82 APP (0.36) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL16359813 0.82 NQO1 (0.40) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL22213467 0.82 OPRM1 (0.38) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL2742929 0.81 BCL2L1 (0.42) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL24368432 0.78 ESR1 (0.43) CYP2A6ASIC3LOXL2CA9CA2
SCHEMBL24368433 0.78 ESR1 (0.43) CYP2A6ASIC3LOXL2CA9CA2
SCHEMBL24368473 0.78 ESR1 (0.43) CYP2A6ASIC3LOXL2CA9CA2
SCHEMBL18382425 0.76 F9 (0.34) BCL2L1APPHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113950475-A Organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2022-01-18 CN claimed
CN-107406351-B Compound and organic light emitting device including the same 株式会社LG化学 2021-06-08 CN claimed
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 CN disclosed
CN-113929687-A Multiple host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2022-01-14 CN disclosed
CN-108137525-B Heterocyclic compound and organic light emitting diode including the same 株式会社LG化学 2021-12-28 CN disclosed
CN-113277988-A Organic electroluminescent compounds, various host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2021-08-20 CN disclosed
CN-113228335-A Organic light emitting device 株式会社LG化学 2021-08-06 CN disclosed
CN-113013365-A Multiple host materials and organic electroluminescent device comprising same 罗门哈斯电子材料韩国有限公司 2021-06-22 CN disclosed
CN-107619410-B Compound and organic electronic element comprising same 株式会社LG化学 2020-11-27 CN disclosed