SCHEMBL9768696

SCHEMBL9768696

CCN1c2ccccc2N(C(=O)CN(C)C)c2ccccc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
NR1I3 Q14994 1/20 0.39
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10444817 0.90 KDM4E (0.48) KDM4EALDH1A1HPGDCA12CA9
Hydrochloric Acid SCHEMBL9768887 0.89 KDM4E (0.47) KDM4EALDH1A1CA12CA9MAPT
SCHEMBL9768706 0.84 MAPT (0.44) KDM4EALDH1A1CA9MAPTSLC6A2
SCHEMBL9768760 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDCA12CA9
SCHEMBL9768709 0.76 ALDH1A1 (0.43) KDM4EALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL9768826 0.74 MAPT (0.41) KDM4EALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL9768744 0.74 NR1I3 (0.44) KDM4EALDH1A1MAPTNR1I3SMN1; SMN2
SCHEMBL9768684 0.74 ALDH1A1 (0.50) KDM4EALDH1A1HPGDCA12CA9
SCHEMBL9768774 0.73 ALDH1A1 (0.43) KDM4EALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL9768732 0.72 ALDH1A1 (0.44) KDM4EALDH1A1MAPTSLC6A2SLC6A4

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
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US disclosed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP disclosed