SCHEMBL22901600

SCHEMBL22901600

CC1(C)c2ccccc2-c2cccc(-c3ccc4c5ccc(-c6cccc7c6C(C)(C)c6ccccc6-7)cc5n(-c5ccc(-c6ccccc6)cc5)c4c3)c21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ OXTR P30559 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ MAOB P27338 1/20 0.30

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
SCHEMBL21365749 0.96 KDM4E (0.40) PGRPDK2AVPR1AKDM4EATM
SCHEMBL21365752 0.91 KDM4E (0.35) PDK2KDM4EATML3MBTL1HDAC4
SCHEMBL22901776 0.90 PGR (0.33) PGRPDK2AVPR1AKDM4EATM
SCHEMBL21365742 0.89 KDM4E (0.40) PGRPDK2KDM4EATML3MBTL1
SCHEMBL21365483 0.88 PDK2 (0.33) PDK2
SCHEMBL21365477 0.86 PDK2 (0.36) PGRPDK2AVPR1AKDM4EATM
SCHEMBL21365519 0.84 KDM4E (0.35) PDK2KDM4EATML3MBTL1HDAC4
SCHEMBL14960775 0.84 PDK2 (0.35) PGRPDK2AVPR1AKDM4EATM
SCHEMBL15159171 0.84 PDK2 (0.35) PGRPDK2AVPR1AKDM4EATM
SCHEMBL21365473 0.83 PGR (0.35) PGRPDK2AVPR1AKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210119144-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-04-22 — — US disclosed
EP-3767698-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-01-20 — — EP disclosed
Send feedback