SCHEMBL7975339

SCHEMBL7975339

Cc1cccc(CNC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.45
MPO P05164 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7980407 0.93 NPC1 (0.48) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7975324 0.90 SMN1; SMN2 (0.44) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7980374 0.88 SMN1; SMN2 (0.52) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7974403 0.87 RAB9A (0.47) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7974453 0.85 NPC1 (0.50) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7975321 0.85 AR (0.48) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7964005 0.84 POLB (0.46) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7964041 0.83 POLB (0.47) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7963992 0.83 AR (0.50) ARLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7974397 0.83 SMN1; SMN2 (0.50) ARLMNASMN1; SMN2RAB9ANPC1

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