SCHEMBL7994931

SCHEMBL7994931

CSc1nccn1Cc1cccc(OCCCSc2nccs2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.34
MAPK1 P28482 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7984007 0.86 HSP90AA1 (0.38) HTR7MAPK1LMNAALDH1A1USP2
SCHEMBL7994719 0.86 HTR7 (0.34) HTR7MAPK1SMN1; SMN2TDP1LMNA
SCHEMBL7996749 0.84 HTR7 (0.33) HTR7MAPK1LMNAUSP2NPC1
SCHEMBL8001769 0.84 GRM2 (0.38) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7994851 0.83 EGFR (0.33) HTR7MAPK1LMNAMAPTCYP3A4
SCHEMBL7998204 0.82 GRM2 (0.41) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7997626 0.82 LMNA (0.39) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7998049 0.81 ALDH1A1 (0.38) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8001816 0.80 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7994276 0.79 ALDH1A1 (0.36) MAPK1SMN1; SMN2LMNAMAPTALDH1A1

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