SCHEMBL25925320

SCHEMBL25925320

COCCOCOc1c(Br)cc(C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 5/20 0.38
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 8/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP2C19 P33261 2/20 0.32
HSPA5 P11021 1/20 0.31
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 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
SCHEMBL5086986 0.86 CYP2D6 (0.38) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL25925324 0.86 KMT2A (0.48) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL18998945 0.79 CYP3A4 (0.48) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL18998970 0.79 CYP3A4 (0.48) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL2047247 0.78 ALDH1A1 (0.38) L3MBTL1MAPTLMNAKDM4EALDH1A1
SCHEMBL30746816 0.75 MEN1 (0.34) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL22321054 0.75 MEN1 (0.34) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL1627319 0.74 CA2 (0.43) L3MBTL1MAPTLMNACYP2D6CYP3A4
SCHEMBL8010921 0.74 F2 (0.35) L3MBTL1MAPTKMT2AMEN1LMNA
SCHEMBL15456307 0.74 ALDH1A1 (0.38) LMNAKDM4EALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833495-B2 Heterobimetallic catalysts and site-differentiated ligands for preparation thereof UNIVERSITY OF HOUSTON SYSTEM (US) 2023-12-05 US disclosed
US-20230249169-A1 HETEROBIMETALLIC CATALYSTS AND SITE-DIFFERENTIATED LIGANDS FOR PREPARATION THEREOF UNIVERSITY OF HOUSTON SYSTEM (US) 2023-08-10 US disclosed
US-11712686-B2 Heterobimetallic catalysts and site-differentiated ligands for preparation thereof UNIVERSITY OF HOUSTON SYSTEM (US) 2023-08-01 US disclosed