SCHEMBL29567889

SCHEMBL29567889

OCc1ccc2nnsc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 8/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.42
BAZ1A Q9NRL2 3/20 0.41
APP P05067 2/20 0.41
EHMT2 Q96KQ7 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
NSD2 O96028 1/20 0.38

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
SCHEMBL507524 1.00 PRMT3 (0.45) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL3205606 0.85 HSD17B10 (0.50) ALDH1A1NPC1POLBMAPTRAB9A
SCHEMBL764255 0.81 NPC1 (0.50) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL7576448 0.74 MAPT (0.46) ALDH1A1NPC1POLBMAPTRAB9A
SCHEMBL16782399 0.71 ALDH1A1 (0.44) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL1292012 0.69 SMN1; SMN2 (0.46) ALDH1A1NPC1POLBMAPTRAB9A
SCHEMBL17538782 0.69 PRMT3 (0.48) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL1291431 0.69 NPC1 (0.42) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL506620 0.69 NPC1 (0.51) ALDH1A1NPC1RAB9AHSD17B10APP
SCHEMBL14582771 0.69 THRB (0.42) ALDH1A1NPC1POLBMAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976027-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme Corp. (US) 2022-04-06 EP disclosed