SCHEMBL9250720

SCHEMBL9250720

CCOC(=O)OC(C)OC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLS O94925 4/20 0.35
CSNK2A2 P19784 4/20 0.35
CSNK2A1 P68400 4/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MASP2 O00187 2/20 0.34
MMP12 P39900 1/20 0.34
ATM Q13315 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9260202 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EHPGDUSP2HSD17B10
SCHEMBL9256883 0.79 KDM4E (0.36) KDM4EHPGDALDH1A1MASP2ATM
SCHEMBL9254764 0.78 EPHX1 (0.38) SMN1; SMN2GLSMAPK1L3MBTL1ALDH1A1
SCHEMBL9257621 0.77 PDK1 (0.36) MASP2
SCHEMBL9257116 0.76 CSNK2A2 (0.42) SMN1; SMN2KDM4EHPGDHSD17B10CSNK2A2
SCHEMBL9568160 0.74 YAP1 (0.41) SMN1; SMN2MAPK1L3MBTL1ALDH1A1MASP2
SCHEMBL9568161 0.73 BCHE (0.46) MASP2
SCHEMBL9257782 0.73 CSNK2A2 (0.39) SMN1; SMN2KDM4EHPGDHSD17B10GLS
SCHEMBL7301104 0.73 CASP1 (0.49) KDM4EHPGDALDH1A1MASP2
SCHEMBL9248672 0.71 PTGER4 (0.40) SMN1; SMN2KDM4EHPGDL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed