SCHEMBL24409792

SCHEMBL24409792

COC(=O)CCc1nc(-c2cccnc2)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PDE10A Q9Y233 3/20 0.41
TSHR P16473 1/20 0.41
TBXAS1 P24557 1/20 0.41
HDAC1 Q13547 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
F2 P00734 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 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
SCHEMBL24409845 0.89 POLB (0.51) ALDH1A1KDM4ENPC1KMT2AMEN1
SCHEMBL24409961 0.86 TBXAS1 (0.45) MAPK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL24409750 0.85 LMNA (0.43) MAPK1ALDH1A1KDM4ECCNCCDK8
SCHEMBL24409991 0.80 CYP11B1 (0.38) ALDH1A1KDM4ECCNCCDK8LMNA
SCHEMBL24409733 0.80 CCNC (0.42) ALDH1A1KDM4ECCNCCDK8LMNA
SCHEMBL24409746 0.80 MAPT (0.39) ALDH1A1KDM4ECCNCCDK8KMT2A
SCHEMBL24409814 0.80 L3MBTL1 (0.39) MAPK1ALDH1A1KDM4ENPC1CCNC
SCHEMBL24409821 0.79 CCNC (0.41) ALDH1A1KDM4ECCNCCDK8LMNA
SCHEMBL23447607 0.79 MAPT (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL25972585 0.79 KDM4E (0.53) ALDH1A1KDM4ENPC1LMNAPOLB

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-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed