SCHEMBL5221403

SCHEMBL5221403

CCOC(=O)c1cc(C)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.45
OPRK1 P41145 4/20 0.45
P2RY12 Q9H244 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL27441058 0.85 KDM4E (0.48) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL29998614 0.85 KDM4E (0.48) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4097876 0.84 P2RY12 (0.63) KDM4EALDH1A1KMT2AOPRK1P2RY12
Hydrochloric Acid SCHEMBL5225308 0.81 L3MBTL1 (0.74) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3281938 0.79 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL27441053 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL19734920 0.76 CTSK (0.45) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL29998882 0.76 RET (0.46) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL27441052 0.76 RET (0.46) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL29658635 0.76 JAK3 (0.49) KDM4EALDH1A1KMT2AMEN1LMNA

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-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed