SCHEMBL27367305

SCHEMBL27367305

CCOC(=O)C1CCc2cc(S(=O)(=O)N(CC)CC)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
NR2F2 P24468 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.42
TAS2R14 Q9NYV8 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL27367301 0.85 HTT (0.45) RAB9AALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL27366954 0.83 KMT2A (0.43) RAB9AALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL7289390 0.78 DRD2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL630214 0.78 DRD2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL629772 0.78 OPRK1 (0.48) ALDH1A1KMT2APDK1LMNA
SCHEMBL30437653 0.77 MAPK1 (0.46) ALDH1A1SMN1; SMN2KMT2APDK1MAPK1
SCHEMBL21383104 0.77 SHMT2 (0.46) ALDH1A1KMT2APDK1LMNAPOLB
SCHEMBL10529754 0.77 MAPK1 (0.46) ALDH1A1SMN1; SMN2KMT2APDK1MAPK1
SCHEMBL10528687 0.76 CYP4F2 (0.59) ALDH1A1SMN1; SMN2KMT2APDK1LMNA
Hydrochloric Acid SCHEMBL10528366 0.76 SHMT2 (0.45) ALDH1A1KMT2APDK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed