SCHEMBL17875225

SCHEMBL17875225

C[C@@]1(O)CC[C@@H](n2ccc3c(NCc4ccc(Cl)cc4)ncnc32)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRMT5 O14744 8/20 0.42
WDR77 Q9BQA1 8/20 0.42
METTL3 Q86U44 1/20 0.42
METTL14 Q9HCE5 1/20 0.42
PDE5A O76074 1/20 0.41
PIP4K2A P48426 1/20 0.40

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
SCHEMBL17866027 0.83 TP53 (0.47) TP53LMNAPOLBGAAMAPK1
SCHEMBL17866056 0.76 TP53 (0.47) TP53LMNAPOLBGAAMAPK1
SCHEMBL192667 0.76 NAE1 (0.43) TP53LMNAPOLBGAAMAPK1
SCHEMBL17865958 0.73 TP53 (0.45) TP53LMNAPOLBGAAMAPK1
SCHEMBL17875177 0.72 NAE1 (0.55) LMNAEGFR
SCHEMBL5477843 0.72 PRMT5 (0.55) TP53LMNAPOLBGAAEGFR
SCHEMBL17865957 0.71 NAE1 (0.46) TP53LMNAPOLBGAAMAPK1
SCHEMBL10233932 0.70 CA2 (0.46) TP53LMNAPOLBGAAMAPK1
SCHEMBL192175 0.69 NAE1 (0.62)
SCHEMBL17866032 0.67 METTL3 (0.49) TP53PRMT5WDR77METTL3METTL14

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed