SCHEMBL8002275

SCHEMBL8002275

CSc1nccn1Cc1cccc(OCCCSc2nnnn2-c2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
TSHR P16473 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
NFKB1 P19838 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 2/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7998204 0.81 GRM2 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL8001769 0.80 GRM2 (0.38) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7997626 0.78 LMNA (0.39) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7998049 0.78 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7994931 0.77 HTR7 (0.34) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7994276 0.75 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL7996539 0.75 TP53 (0.41) ALDH1A1SMN1; SMN2LMNATP53THRB
SCHEMBL7997836 0.75 TP53 (0.41) ALDH1A1SMN1; SMN2LMNATP53THRB
SCHEMBL7994234 0.74 TP53 (0.40) ALDH1A1SMN1; SMN2LMNATP53THRB
SCHEMBL7995736 0.73 CYP1A2 (0.43) ALDH1A1SMN1; SMN2LMNATP53THRB

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 disclosed