SCHEMBL29600396

SCHEMBL29600396

Cc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.38
MAOB P27338 10/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 3/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B1 P14061 1/20 0.32
PRKCI P41743 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
MAPK14 Q16539 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
SCHEMBL24362288 1.00 MAOA (0.38) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL1027802 0.92 MAOB (0.37) MAOBDRD2PTGS2DRD3
SCHEMBL12533716 0.86 STS (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29600467 0.85 MAOA (0.38) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL24362492 0.85 MAOA (0.38) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL7501392 0.82 MEN1 (0.39) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL24362286 0.78 MAOA (0.36) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL1471642 0.77 MAOB (0.55) MAOAMAOBHSD17B1PRKCI
SCHEMBL4809246 0.77 MEN1 (0.41) MAOAMEN1KMT2APTGS2
SCHEMBL2303778 0.77 MEN1 (0.41) MAOAMEN1KMT2APTGS2

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-4228758-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
WO-2022084280-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed