SCHEMBL25640478

SCHEMBL25640478

CC(C)c1ccccc1[C@@H]1CN(Cc2ccccn2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HRH1 P35367 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
PDE2A O00408 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL23944111 0.83 KCNJ1 (0.38) LMNAL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL25264679 0.83 KCNJ1 (0.38) LMNAL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL25640474 0.83 PKM (0.41) LMNASIGMAR1CYP1A2KMT2AALDH1A1
SCHEMBL25640475 0.80 CHRNB2 (0.44) LMNAKMT2AALDH1A1KDM4ETRPV6
SCHEMBL25479105 0.80 JAK2 (0.35) SIGMAR1
SCHEMBL25478882 0.79 LTA4H (0.39) SIGMAR1CYP1A2CYP2C19ALDH1A1POLB
SCHEMBL25640513 0.79 TACR1 (0.40) LMNASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL25640507 0.79 HRH3 (0.40) SIGMAR1CYP1A2CYP2C19KMT2A
SCHEMBL25640471 0.78 TACR1 (0.44)
SCHEMBL25640473 0.78 TACR1 (0.45) CYP1A2CYP2C19KMT2AALDH1A1POLB

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