SCHEMBL7964041

SCHEMBL7964041

CCc1ccccc1NC(=O)OCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
AR P10275 4/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 6/20 0.44
MAPK1 P28482 1/20 0.44
MPO P05164 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL7963992 0.93 AR (0.50) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7974397 0.90 SMN1; SMN2 (0.50) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7975321 0.89 AR (0.48) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7974453 0.88 NPC1 (0.50) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7964013 0.87 AR (0.46) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7980183 0.87 AR (0.46) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7975380 0.86 LMNA (0.47) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7964043 0.86 MAPT (0.50) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7977473 0.86 RAB9A (0.48) POLBNPC1RAB9AARSMN1; SMN2
SCHEMBL7977629 0.86 SMN1; SMN2 (0.48) POLBNPC1RAB9AARSMN1; SMN2

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