SCHEMBL7998619

SCHEMBL7998619

Cc1c(Cn2nc3ccccc3n2)cccc1SCCN(C(=O)O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL7994388 0.82 SMN1; SMN2 (0.40) TP53SMN1; SMN2ALDH1A1HTR7
SCHEMBL7984361 0.81 SMN1; SMN2 (0.36) TP53SMN1; SMN2ALDH1A1KDM4ETHRB
SCHEMBL7984069 0.81 SMN1; SMN2 (0.39) TP53SMN1; SMN2ALDH1A1HTR7
SCHEMBL7994551 0.77 HDAC1 (0.39) TP53SMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL7998624 0.77 KMT2A (0.35) TP53SMN1; SMN2ALDH1A1THRBGAA
SCHEMBL7994472 0.76 HDAC1 (0.39) ALDH1A1
SCHEMBL7997629 0.74 LMNA (0.47) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL7975229 0.69 NPC1 (0.51) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL8580104 0.62 HTR7 (0.46) HTR7
SCHEMBL38651331 0.61 RAB9A (0.57) TP53SMN1; SMN2ALDH1A1KDM4EGAA

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed