SCHEMBL7997626

SCHEMBL7997626

CSc1nccn1Cc1cccc(OCCCSc2ncc[nH]2)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GRIN2B Q13224 2/20 0.34
GRIN2A Q12879 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8001769 0.87 GRM2 (0.38) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL7998204 0.83 GRM2 (0.41) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL7998049 0.82 ALDH1A1 (0.38) LMNAMAPTKMT2AALDH1A1MAPK1
SCHEMBL7994931 0.82 HTR7 (0.34) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL7994276 0.79 ALDH1A1 (0.36) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL8002275 0.78 ALDH1A1 (0.49) LMNAMAPTALDH1A1MAPK1HPGD
SCHEMBL7994293 0.71 NPC1 (0.42) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL7994182 0.71 KMT2A (0.40) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL8001947 0.70 GFER (0.39) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL7995706 0.69 HSP90AA1 (0.41) LMNASMN1; SMN2NPC1RAB9A

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 2 patents. 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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed