SCHEMBL29601461

SCHEMBL29601461

CCCCCC(=O)n1cnc2nc(F)nc(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 3/20 0.34
OXER1 Q8TDS5 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
NPC1 O15118 3/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.30
PLA2G4A P47712 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29601330 0.87 SQOR (0.35) SQOROXER1L3MBTL1NPC1GLA
SCHEMBL29601164 0.82 HDAC1 (0.35) SQORL3MBTL1NPC1GLAMAPK1
SCHEMBL29601208 0.72 HDAC1 (0.43) SQORL3MBTL1NPC1GLAMAPK1
SCHEMBL29601253 0.71 HDAC1 (0.44) SQOROXER1ELANETDP1ALDH1A1
SCHEMBL24476301 0.69 KAT2B (0.43) MAPK1FAAH
SCHEMBL29601165 0.68 TLR8 (0.40) L3MBTL1POLB
SCHEMBL29601423 0.67 ALDH1A1 (0.36) NPC1MAPK1POLBRAB9AALDH1A1
SCHEMBL28654970 0.66 HDAC1 (0.36) MAPK1KMT2AFAAHLMNAMAPT
SCHEMBL29601213 0.66 HDAC1 (0.42) SQORL3MBTL1NPC1GLAMAPK1
SCHEMBL684387 0.64 MAPK1 (0.60) MAPK1POLBMEN1KMT2ALMNA

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
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed