SCHEMBL7963998

SCHEMBL7963998

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)NC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HDAC1 Q13547 2/20 0.46
MAPT P10636 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL7974298 0.93 POLB (0.50) POLBALDH1A1HDAC1MAPTHDAC3
SCHEMBL7975380 0.89 LMNA (0.47) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7974453 0.86 NPC1 (0.50) POLBALDH1A1HDAC1MAPTHDAC3
SCHEMBL7974397 0.84 SMN1; SMN2 (0.50) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7977473 0.84 RAB9A (0.48) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7964041 0.82 POLB (0.47) POLBALDH1A1HDAC1MAPTSMN1; SMN2
SCHEMBL7963992 0.82 AR (0.50) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7980407 0.82 NPC1 (0.48) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7964043 0.82 MAPT (0.50) POLBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7977623 0.82 LMNA (0.55) POLBALDH1A1MAPTSMN1; SMN2NPC1

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