SCHEMBL21867958

SCHEMBL21867958

CC1(C)c2ccccc2C2(c3ccccc3Oc3c(N4c5ccccc5Sc5ccccc54)cccc32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
ATM Q13315 1/20 0.33
BCHE P06276 13/20 0.33
ACHE P22303 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31
DRD1 P21728 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL22066634 0.83 KMT2A (0.33) BCHEMEN1KMT2ASMN1; SMN2
SCHEMBL21867650 0.82 ATM (0.32) ATM
SCHEMBL20931924 0.77 ATM (0.35) MAOANOX1ATMBCHEMEN1
SCHEMBL21477994 0.77 P2RX4 (0.35) ATMMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24293229 0.76 HDAC6 (0.35) MAOA
SCHEMBL22874379 0.76 ATM (0.32) MAOANOX1ATMALDH1A1CYP2C19
SCHEMBL24293290 0.75 MAOA (0.38) MAOANOX1BCHEACHEALDH1A1
SCHEMBL20932553 0.73 ATM (0.34) MAOAATM
SCHEMBL24145328 0.73 DRD1 (0.37) CYP2C19CYP2C9CYP1A2DRD1
SCHEMBL22874378 0.72 ATM (0.31) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed