SCHEMBL21077181

SCHEMBL21077181

CCC(C(=O)N(C)c1ccc(-c2cccnc2)cc1)c1csc(NSC2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 6/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
CTPS2 Q9NRF8 1/20 0.37
HDAC2 Q92769 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL21044425 0.85 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077210 0.85 CTPS1 (0.42) CTPS1KDM4E
SCHEMBL22762461 0.84 CTPS1 (0.55) CTPS1NPC1RAB9AGAAKMT2A
SCHEMBL21077111 0.75 CTPS1 (0.46) CTPS1NPC1RAB9AGAAKMT2A
SCHEMBL21076874 0.71 CTPS1 (0.45) CTPS1
SCHEMBL22762590 0.71 CTPS1 (0.70) CTPS1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL21077078 0.70 SMN1; SMN2 (0.39) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL22491694 0.69 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21044404 0.69 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL22491678 0.69 CTPS1 (0.72) CTPS1CTPS2

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed