SCHEMBL31336893

SCHEMBL31336893

Fc1ccc(CNc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
HPGD P15428 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ESR1 P03372 4/20 0.57
HIF1A Q16665 5/20 0.51
MAPK1 P28482 2/20 0.50
TNF P01375 1/20 0.50
NOD1 Q9Y239 1/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE5A O76074 1/20 0.48
FGFR1 P11362 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
SCHEMBL23598961 1.00 LMNA (0.58) LMNANPC1HPGDCASP3RAB9A
SCHEMBL31337018 0.94 ESR1 (0.65) LMNANPC1HPGDCASP3RAB9A
SCHEMBL23598886 0.94 ESR1 (0.65) LMNANPC1HPGDCASP3RAB9A
SCHEMBL23579700 0.91 HIF1A (0.60) LMNANPC1HPGDCASP3RAB9A
SCHEMBL30034730 0.91 HIF1A (0.60) LMNANPC1HPGDCASP3RAB9A
SCHEMBL28855649 0.91 NPC1 (0.63) LMNANPC1HPGDCASP3RAB9A
SCHEMBL23579729 0.91 NPC1 (0.59) LMNANPC1HPGDCASP3RAB9A
SCHEMBL30033923 0.91 NPC1 (0.59) LMNANPC1HPGDCASP3RAB9A
SCHEMBL31336855 0.90 NPC1 (0.54) LMNANPC1HPGDCASP3RAB9A
SCHEMBL28855513 0.90 NPC1 (0.54) LMNANPC1HPGDCASP3RAB9A

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
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed