SCHEMBL9543636

SCHEMBL9543636

COc1c(C)sc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
TP53 P04637 2/20 0.43
LIMK1 P53667 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
CLK1 P49759 2/20 0.40
KAT2B Q92831 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9543629 0.81 KDM4E (0.46) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL30059934 0.77 NPC1 (0.48) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL13029609 0.77 NPC1 (0.48) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL9541281 0.77 KAT2B (0.43) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL9541110 0.77 KDM4E (0.44) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL4851436 0.76 KDM4E (0.67) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL31463247 0.76 KDM4E (0.67) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL20722810 0.74 IKBKB (0.64) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL9543792 0.74 KDM4E (0.53) KDM4ETP53LIMK1ALDH1A1KMT2A
SCHEMBL4851054 0.74 KDM4E (0.66) KDM4ETP53LIMK1ALDH1A1KMT2A

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed