SCHEMBL25640472

SCHEMBL25640472

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.39
KCNJ1 P48048 8/20 0.38
ABL1 P00519 2/20 0.37
RIN1 Q13671 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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 0.89 KCNJ1 (0.39) KCNJ1L3MBTL1TLR9TLR8TLR7
SCHEMBL25640470 0.89 KCNJ1 (0.39) KCNJ1L3MBTL1TLR9TLR8TLR7
SCHEMBL25640474 0.81 PKM (0.41) KMT2AALDH1A1MEN1KCNJ1
SCHEMBL25640475 0.81 CHRNB2 (0.44) KMT2AMAPTALDH1A1
SCHEMBL25478882 0.80 LTA4H (0.39) ALDH1A1KCNJ1
SCHEMBL25640507 0.80 HRH3 (0.40) KMT2AMEN1
SCHEMBL25640513 0.80 TACR1 (0.40) ALDH1A1
SCHEMBL25640471 0.79 TACR1 (0.44)
SCHEMBL25268635 0.78 TRPV6 (0.44) KCNJ1TLR9TLR8TLR7
SCHEMBL30414542 0.78 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