SCHEMBL9260202

SCHEMBL9260202

CC(C)(C)C(=O)OCOC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLS O94925 4/20 0.37
CSNK2A2 P19784 3/20 0.35
CSNK2A1 P68400 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 1/20 0.34
MASP2 O00187 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP12 P39900 1/20 0.34
LMNA P02545 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
SCHEMBL9254764 0.83 EPHX1 (0.38) SMN1; SMN2MAPK1L3MBTL1GLSRAB9A
SCHEMBL9250720 0.81 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1L3MBTL1GLSCSNK2A2
SCHEMBL9247290 0.81 TMPRSS15 (0.35) CSNK2A2CSNK2A1RAB9ANPC1HDAC6
SCHEMBL9257782 0.79 CSNK2A2 (0.39) SMN1; SMN2GLSCSNK2A2CSNK2A1RAB9A
SCHEMBL9568201 0.79 MAPT (0.39) SMN1; SMN2RAB9AHPGDMEN1KMT2A
SCHEMBL9255100 0.77 KDM4E (0.36) SMN1; SMN2MAPK1L3MBTL1HDAC6KDM4E
SCHEMBL9254355 0.76 PDK1 (0.35) NPC1CASP1MASP2
SCHEMBL7389689 0.74 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1RAB9ANPC1KDM4E
SCHEMBL9568146 0.73 YAP1 (0.43) SMN1; SMN2HDAC6KMT2AMASP2LMNA
SCHEMBL8407251 0.71 SRD5A2 (0.48) SMN1; SMN2KMT2AMASP2LMNA

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