SCHEMBL29954657

SCHEMBL29954657

CN(C)c1[nH]c2ccc(Br)cc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
PIM1 P11309 2/20 0.43
PIM3 Q86V86 1/20 0.43
GSK3B P49841 3/20 0.39
PTGS2 P35354 2/20 0.39
PRNP P04156 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL29951207 0.88 GSK3B (0.48) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL3198006 0.79 LMNA (0.51) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL4824528 0.77 LMNA (0.40) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL4824535 0.77 LMNA (0.40) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL28460398 0.76 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29951828 0.76 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL16920112 0.76 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29951788 0.75 HPGD (0.44) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29955514 0.72 RXFP1 (0.58) LMNAPIM1PIM3GSK3BPRNP
SCHEMBL28197841 0.72 LMNA (0.41) LMNAHPGDPIM1PIM3GSK3B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed