SCHEMBL7074520

SCHEMBL7074520

CCC(CC(=O)N[C@H](C)C(=O)OC)(C(=O)O)c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
BIRC2 Q13490 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL7080481 0.89 FAAH (0.33) MAPT
SCHEMBL17242862 0.74
SCHEMBL7074528 0.67 MEN1 (0.36) MEN1TSHRKMT2ABIRC2MAPT
SCHEMBL7074523 0.65 MAPT (0.32) MAPTL3MBTL1
SCHEMBL4122574 0.63
SCHEMBL13203004 0.63
SCHEMBL2081022 0.62 TSHR (0.51) MEN1TSHRKMT2ABIRC2MAPT
SCHEMBL25967050 0.62 TSHR (0.51) MEN1TSHRKMT2ABIRC2MAPT
SCHEMBL10272433 0.62 TSHR (0.51) MEN1TSHRKMT2ABIRC2MAPT
SCHEMBL10603399 0.61

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-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed