SCHEMBL7974367

SCHEMBL7974367

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 5/20 0.49
RECQL P46063 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL7963996 0.92 HPGD (0.56) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7975403 0.88 LMNA (0.47) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7977610 0.84 LMNA (0.47) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7977642 0.83 NPC1 (0.47) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7977621 0.83 SMN1; SMN2 (0.52) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7974473 0.83 RAB9A (0.52) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7977605 0.81 SMN1; SMN2 (0.51) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7975370 0.81 RAB9A (0.45) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7974400 0.81 MEN1 (0.48) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7963858 0.79 NPC1 (0.43) LMNAHPGDSMN1; SMN2NPC1RAB9A

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