SCHEMBL21743559

SCHEMBL21743559

Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1S2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NOX1 Q9Y5S8 5/20 0.34
PDK2 Q15119 2/20 0.34
CYP1A2 P05177 2/20 0.33
CNR1 P21554 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL21743587 0.90 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28267231 0.84 NOX1 (0.41) MEN1KMT2AKDM4EALDH1A1NOX1
SCHEMBL24380442 0.83 PDK2 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL25705121 0.82 ALDH1A1 (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL21764382 0.82 PDK2 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16787352 0.80 OPRM1 (0.37) MEN1KMT2AKDM4ENOX1PDK2
SCHEMBL27413330 0.80 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL25704495 0.77 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23965265 0.77 PDK2 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL24027648 0.76 PDK2 (0.40) MEN1KMT2AKDM4EALDH1A1HPGD

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
WO-2021149998-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2021-07-29 WO disclosed
WO-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed