SCHEMBL29651100

SCHEMBL29651100

O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.64
AKR1C3 P42330 1/20 0.60
AKR1C1 Q04828 1/20 0.60
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
PLK1 P53350 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
HTR7 P34969 2/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
DRD3 P35462 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1996382 1.00 HTR6 (0.64) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL29460860 0.87 KDM4E (0.68) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL517434 0.87 KDM4E (0.68) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL9587637 0.85 AKR1C3 (0.52) HTR6AKR1C3AKR1C1CA12CA1
SCHEMBL19737423 0.85 HTR6 (0.59) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL4334765 0.85 HTR6 (0.52) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1015250 0.85 HTR6 (0.58) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL19737553 0.82 HTR6 (0.49) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL13051118 0.82 HTR6 (0.52) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL30974768 0.82 HTR6 (0.59) HTR6AKR1C3AKR1C1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed