SCHEMBL29956041

SCHEMBL29956041

CNC(=O)c1cc(OC2CC2)c(C=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29951399 0.92 POLB (0.39) POLBKAT2BBAZ2BCNR2KDM4E
SCHEMBL29957502 0.84 KMO (0.45) POLBKDM4EPDE4APDE4BPDE4C
SCHEMBL29955972 0.83 PDE4A (0.46) POLBGPR6HRH3PDE4APDE4B
SCHEMBL29955501 0.78 POLB (0.43) POLB
SCHEMBL29953007 0.78 KAT2B (0.43) KAT2BBAZ2BEPHX2PDE4APDE4B
SCHEMBL29956377 0.77 KAT2B (0.39) POLBKAT2BBAZ2BEPHX2PDE4A
SCHEMBL29955295 0.76 KAT2B (0.44) POLBKAT2BBAZ2BPDE4APDE4B
SCHEMBL29951840 0.75 POLB (0.42) POLBKDM4EALDH1A1PDE4APDE4B
SCHEMBL29953202 0.74 KMO (0.44) POLBKDM4EPDE4APDE4BPDE4C
SCHEMBL30108322 0.74 MAPT (0.42) BAZ2BKDM4ENPC1ALDH1A1LMNA

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