SCHEMBL7998624

SCHEMBL7998624

Cc1c(Cn2nc3ccccc3n2)cccc1SCCc1ccccc1NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.35
DHODH Q02127 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGER3 P43115 1/20 0.33
TP53 P04637 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
SCHEMBL7994393 0.82 ALDH1A1 (0.42) KMT2ALMNAPOLBGAATDP1
SCHEMBL7984074 0.81 TDP1 (0.38) KMT2APOLBTDP1SMN1; SMN2MAPT
SCHEMBL7984367 0.81 TP53 (0.38) KMT2ALMNASMN1; SMN2THRBALDH1A1
SCHEMBL7997629 0.78 LMNA (0.47) KMT2ALMNAPOLBGAASMN1; SMN2
SCHEMBL7994556 0.78 HDAC1 (0.41) KMT2ALMNASMN1; SMN2MAPTTHRB
SCHEMBL7998619 0.77 TP53 (0.35) LMNAGAASMN1; SMN2THRBALDH1A1
SCHEMBL7994486 0.75 HDAC6 (0.41) KMT2ALMNASMN1; SMN2MAPTTHRB
SCHEMBL2022897 0.65 POLB (0.53) KMT2ALMNAPOLBGAAMAPT
SCHEMBL948318 0.64 MAPT (0.59) KMT2ALMNAPOLBGAASMN1; SMN2
SCHEMBL4688032 0.63 ALDH1A1 (0.49) LMNAPOLBTRPV1GAAMAPT

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