SCHEMBL5497779

SCHEMBL5497779

Brc1c(I)ccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
PGR P06401 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
HTR2B P41595 3/20 0.36
HTR7 P34969 2/20 0.36
SRD5A2 P31213 1/20 0.35

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
SCHEMBL7930923 0.81 PNMT (0.46) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL29453593 0.81 PNMT (0.46) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL784717 0.81 PNMT (0.46) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL6018179 0.78 PNMT (0.43) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL18243402 0.78 PNMT (0.43) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL8982031 0.78 PNMT (0.43) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL29577684 0.78 PNMT (0.43) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL5497772 0.78 PNMT (0.43) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL22263591 0.77 PNMT (0.57) PNMTPGRNPC1RAB9AKDM4E
SCHEMBL2229353 0.76 PGR (0.42) PNMTPGRNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365971-B Compound and light-emitting element using same 住友化学株式会社 2024-04-30 CN disclosed
CN-113365971-A Compound and light-emitting element using same 住友化学株式会社 2021-09-07 CN disclosed
WO-2020162156-A1 COMPOUND AND LIGHT EMITTING ELEMENT USING SAME 住友化学株式会社 2020-08-13 WO disclosed
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed