SCHEMBL22954965

SCHEMBL22954965

CC#Cc1cc(C)c(C2C(=O)CC(C3CCN(C(=O)CC#N)CC3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 7/20 0.33
JAK3 P52333 6/20 0.33
JAK1 P23458 5/20 0.33
IRAK4 Q9NWZ3 5/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TYK2 P29597 1/20 0.31
KCNH2 Q12809 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL22954961 0.92 CCNT1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22954943 0.90 IRAK4 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22954939 0.86 KMT2A (0.36) ALDH1A1MAPTKMT2A
SCHEMBL22955446 0.85 SLC9A1 (0.33) ALDH1A1MAPTKCNH2
SCHEMBL22954942 0.83 CNR1 (0.34) MAPTMEN1KMT2ATSHRNPSR1
SCHEMBL22954989 0.82 ALDH1A1 (0.33) ALDH1A1KCNH2
SCHEMBL22941608 0.82 JAK1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL24120484 0.81 KDM4E (0.32) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22954938 0.81
SCHEMBL22954921 0.80 GPR119 (0.47) MAPTKDM4EMEN1KMT2A

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-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed