SCHEMBL9768805

SCHEMBL9768805

CN1c2ccccc2N(C(N)=O)c2ccccc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SCN4A P35499 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
BLM P54132 1/20 0.41
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9768785 0.80 NPC1 (0.53) CA2CA9ALDH1A1CYP2C9CYP1A2
SCHEMBL9768832 0.78 MTNR1A (0.40) CA2CA9MEN1CYP3A4KMT2A
SCHEMBL9768762 0.78 NPC1 (0.40) LMNABCHECA2CA9MEN1
SCHEMBL9768706 0.78 MAPT (0.44) CA2CA9KMT2AKDM4EALDH1A1
SCHEMBL3296716 0.76 TSHR (0.71) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9768831 0.76 ALDH1A1 (0.56) MEN1CYP3A4KMT2AKDM4EALDH1A1
SCHEMBL9768823 0.76 KDM4E (0.46) LMNABCHECA2CA9MEN1
SCHEMBL9768744 0.76 NR1I3 (0.44) TSHRKDM4EALDH1A1MAPTPOLB
SCHEMBL9768740 0.76 CYP2D6 (0.53) LMNATSHRCYP3A4KMT2AKDM4E
SCHEMBL9768754 0.75 NR1I3 (0.43) BCHECA2CA9MEN1CYP3A4

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