SCHEMBL7963948

SCHEMBL7963948

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
HPGD P15428 2/20 0.47
ALOX5 P09917 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL7974473 0.84 RAB9A (0.52) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7974400 0.84 MEN1 (0.48) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7977610 0.84 LMNA (0.47) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7963996 0.83 HPGD (0.56) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7975370 0.80 RAB9A (0.45) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7974367 0.79 LMNA (0.50) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7977621 0.79 SMN1; SMN2 (0.52) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7977605 0.78 SMN1; SMN2 (0.51) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7975403 0.78 LMNA (0.47) LMNAHPGDRAB9ANPC1MAPT
SCHEMBL7977642 0.78 NPC1 (0.47) LMNAHPGDRAB9ANPC1MAPT

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