SCHEMBL7977623

SCHEMBL7977623

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 2/20 0.45
MPO P05164 2/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
AR P10275 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7975380 0.91 LMNA (0.47) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7974397 0.89 SMN1; SMN2 (0.50) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7963991 0.89 LMNA (0.45) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL7974465 0.88 LMNA (0.47) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7964021 0.88 LMNA (0.47) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL7977583 0.87 SMN1; SMN2 (0.50) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7977567 0.87 LMNA (0.47) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL7975451 0.87 SMN1; SMN2 (0.56) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7974305 0.86 MAPT (0.53) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7980362 0.86 SMN1; SMN2 (0.48) LMNASMN1; SMN2NPC1RAB9ANFKB1

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed