SCHEMBL7975324

SCHEMBL7975324

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
AR P10275 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL7975339 0.90 AR (0.49) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7980407 0.90 NPC1 (0.48) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7963991 0.88 LMNA (0.45) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7980374 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7980183 0.84 AR (0.46) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7974453 0.83 NPC1 (0.50) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7974403 0.83 RAB9A (0.47) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7964005 0.82 POLB (0.46) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7974397 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNARAB9ANPC1RECQL
SCHEMBL7977473 0.81 RAB9A (0.48) SMN1; SMN2LMNARAB9ANPC1RECQL

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