SCHEMBL7975337

SCHEMBL7975337

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
RECQL P46063 1/20 0.45
PTPN1 P18031 1/20 0.43
AR P10275 5/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
PIN1 Q13526 2/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7975340 1.00 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7974395 0.94 POLB (0.45) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7977473 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7980407 0.86 NPC1 (0.48) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7974453 0.85 NPC1 (0.50) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7974403 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7974397 0.84 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7974298 0.83 POLB (0.50) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7975339 0.82 AR (0.49) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7964041 0.81 POLB (0.47) RAB9ANPC1SMN1; SMN2LMNARECQL

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