SCHEMBL7977571

SCHEMBL7977571

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MPO P05164 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL7977564 0.94 POLB (0.50) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL7977544 0.91 LMNA (0.57) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL7974413 0.87 SMN1; SMN2 (0.59) NPC1RAB9ALMNASMN1; SMN2MPO
SCHEMBL7980366 0.87 NPSR1 (0.63) KMT2ALMNASMN1; SMN2POLBMAPK1
SCHEMBL7980318 0.87 HPGD (0.51) NPC1RAB9ALMNASMN1; SMN2MPO
SCHEMBL7974436 0.86 ALDH1A1 (0.61) NPC1RAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL7980161 0.86 RAB9A (0.50) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL7974288 0.86 KMT2A (0.65) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL7980389 0.85 NPC1 (0.49) NPC1RAB9AKMT2ALMNAMPO
SCHEMBL7980407 0.85 NPC1 (0.48) NPC1RAB9AKMT2ALMNASMN1; SMN2

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