SCHEMBL7964043

SCHEMBL7964043

CCOC(=O)c1ccc(NC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
TP53 P04637 3/20 0.50
LMNA P02545 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
MPO P05164 1/20 0.44
AR P10275 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL7974397 0.91 SMN1; SMN2 (0.50) MAPTTP53LMNANPC1RAB9A
SCHEMBL7975380 0.90 LMNA (0.47) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL7974305 0.88 MAPT (0.53) MAPTTP53LMNANPC1RAB9A
SCHEMBL7975451 0.87 SMN1; SMN2 (0.56) MAPTTP53LMNANPC1RAB9A
SCHEMBL7974465 0.86 LMNA (0.47) MAPTTP53LMNANPC1RAB9A
SCHEMBL7964041 0.86 POLB (0.47) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL7977623 0.86 LMNA (0.55) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL7963991 0.86 LMNA (0.45) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL7964021 0.85 LMNA (0.47) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL7980362 0.85 SMN1; SMN2 (0.48) MAPTTP53LMNANPC1RAB9A

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