SCHEMBL29736489

SCHEMBL29736489

COCC1(c2ccc(Cl)[n+]([O-])c2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
P2RX7 Q99572 7/20 0.34
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
OPRL1 P41146 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL23089481 1.00 ALOX5 (0.35) ALOX5P2RX7TNKSTNKS2ALDH1A1
SCHEMBL30173074 0.74 ALOX5 (0.37) ALOX5
SCHEMBL29814481 0.72 P2RX7 (0.39) ALOX5P2RX7TNKSTNKS2ALDH1A1
SCHEMBL23089394 0.72 P2RX7 (0.39) ALOX5P2RX7TNKSTNKS2ALDH1A1
SCHEMBL1120946 0.72 SMN1; SMN2 (0.41) ALOX5P2RX7ALDH1A1
SCHEMBL12658930 0.72 ALDH1A1 (0.39) ALOX5P2RX7ALDH1A1KMT2A
SCHEMBL23089550 0.70 DRD2 (0.33) OPRL1
SCHEMBL29814601 0.70 DRD2 (0.33) OPRL1
SCHEMBL31525294 0.67 KMT2A (0.41) ALOX5P2RX7ALDH1A1KMT2A
SCHEMBL15459334 0.67 ALOX5 (0.37) ALOX5P2RX7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN disclosed
EP-4027995-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-07-20 EP disclosed