SCHEMBL7975405

SCHEMBL7975405

COc1ccc(CCNC(=O)CSc2cccc(CSc3nc4ccccc4[nH]3)c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL7977544 0.92 LMNA (0.57) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7975323 0.89 SMN1; SMN2 (0.51) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7975349 0.83 CYP1A2 (0.51) NPC1RAB9ALMNAGAA
SCHEMBL7977571 0.83 NPC1 (0.53) NPC1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL7980306 0.82 NPSR1 (0.49) NPC1RAB9AGAA
SCHEMBL7980389 0.81 NPC1 (0.49) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL7977633 0.81 SMN1; SMN2 (0.56) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7974413 0.81 SMN1; SMN2 (0.59) NPC1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL7980374 0.81 SMN1; SMN2 (0.52) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7977564 0.80 POLB (0.50) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1

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