SCHEMBL9768790

SCHEMBL9768790

CN1c2ccccc2N(C(=O)CCl)c2cc(Cl)ccc2S1(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1I2 O75469 3/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL9768711 0.91 NPC1 (0.45) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768779 0.91 NPC1 (0.45) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768718 0.90 NR1I2 (0.46) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768732 0.87 ALDH1A1 (0.44) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL9768785 0.87 NPC1 (0.53) NPC1MITFRAB9AALDH1A1NR1I2
SCHEMBL9768904 0.84 CYP1A2 (0.48) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768770 0.83 NPC1 (0.45) NPC1MITFRAB9AMAPTMEN1
SCHEMBL9768722 0.83 NPC1 (0.44) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768766 0.79 NPC1 (0.45) NPC1MITFRAB9AMAPTALDH1A1
SCHEMBL9768774 0.79 ALDH1A1 (0.43) MAPTALDH1A1MEN1LMNAKMT2A

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