SCHEMBL25640470

SCHEMBL25640470

CC(C)c1ccccc1[C@@H]1CN(Cc2cnn(C)c2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
BTK Q06187 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
KAT2B Q92831 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL31677627 1.00 KCNJ1 (0.39) KCNJ1TDP1MAPK1L3MBTL1TLR9
SCHEMBL25640472 0.89 KMT2A (0.41) KCNJ1L3MBTL1TLR9TLR8TLR7
SCHEMBL25640474 0.83 PKM (0.41) KCNJ1MAPK1KDM4E
SCHEMBL25640475 0.83 CHRNB2 (0.44) TDP1MAPK1KDM4E
SCHEMBL25478882 0.82 LTA4H (0.39) KCNJ1KDM4E
SCHEMBL25640513 0.82 TACR1 (0.40)
SCHEMBL25640507 0.82 HRH3 (0.40) TDP1
SCHEMBL25640471 0.81 TACR1 (0.44)
SCHEMBL25221452 0.79 TRPV6 (0.44) KCNJ1TLR9TLR8TLR7
SCHEMBL30414542 0.79 TRPV6 (0.44) KCNJ1TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed