SCHEMBL21368569

SCHEMBL21368569

O=C(CCc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)CC(O)c3ccccc3)s2)s1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 15/20 0.85
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL22623435 1.00 GLS (0.85) GLSTP53POLBTSHRL3MBTL1
SCHEMBL14987279 0.92 GLS (1.00) GLS
SCHEMBL14987282 0.91 GLS (0.86) GLS
SCHEMBL21466345 0.90 GLS (0.87) GLS
SCHEMBL22031569 0.90 GLS (0.87) GLS
SCHEMBL14987543 0.89 GLS (0.78) GLSTP53POLBTSHRL3MBTL1
SCHEMBL15724907 0.87 GLS (0.78) GLSTP53POLBTSHRL3MBTL1
SCHEMBL21369065 0.86 GLS (0.87) GLS
SCHEMBL21484186 0.85 GLS (0.81) GLS
SCHEMBL21486517 0.85 GLS (0.81) GLS

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-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed