SCHEMBL29601330

SCHEMBL29601330

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
OXER1 Q8TDS5 3/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 2/20 0.33
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL29601461 0.87 SQOR (0.34) SQORL3MBTL1OXER1NPC1GLA
SCHEMBL29601208 0.82 HDAC1 (0.43) SQORHDAC1HDAC2L3MBTL1NPC1
SCHEMBL29601253 0.81 HDAC1 (0.44) SQORHDAC1HDAC2OXER1ELANE
SCHEMBL28654970 0.78 HDAC1 (0.36) HDAC1HDAC2MAPK1P2RX7KMT2A
SCHEMBL29601213 0.73 HDAC1 (0.42) SQORHDAC1HDAC2L3MBTL1NPC1
SCHEMBL24476506 0.72 ADORA2A (0.38) HDAC1HDAC2MEN1KMT2ATDP1
SCHEMBL28649295 0.72 ADORA2A (0.38) HDAC1HDAC2MEN1KMT2ATDP1
SCHEMBL29601164 0.72 HDAC1 (0.35) SQORHDAC1HDAC2L3MBTL1NPC1
SCHEMBL28669450 0.72 ADORA2A (0.40) HDAC1HDAC2NPC1POLBMEN1
SCHEMBL24476655 0.69 TNF (0.46)

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