SCHEMBL2233174

SCHEMBL2233174

Cc1ccc(NC(=O)C2CC2c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.76
ALDH1A1 P00352 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NAMPT P43490 2/20 0.69
LMNA P02545 2/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
SCN3A Q9NY46 1/20 0.64
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
HDAC4 P56524 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL14014144 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL26373212 0.94 DEGS1 (0.67) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL26373196 0.92 ALDH1A1 (0.72) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL15706299 0.89 DEGS1 (0.82) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL20284023 0.87 DEGS1 (0.74) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL21522275 0.86 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL20284448 0.86 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL15560342 0.85 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL20707736 0.85 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL16845366 0.85 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO disclosed