SCHEMBL7069732

SCHEMBL7069732

Clc1cc2c(s1)SN=C(NC1CCCCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
HTR5A P47898 1/20 0.34
RIPK1 Q13546 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PDE4A P27815 1/20 0.30

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
SCHEMBL7068004 0.99 HTR5A (0.35) KMT2AMEN1HTR5ARIPK1KDM4C
SCHEMBL7071984 0.96 HTR5A (0.37) KMT2AMEN1HTR5AABCC8KCNJ11
SCHEMBL7067483 0.93 ABCC8 (0.31) HTR5AABCC8KCNJ11
SCHEMBL7066216 0.82 HTR5A (0.35) HTR5A
SCHEMBL7071475 0.82 HTR5A (0.35) KMT2AMEN1HTR5AKDM4EALDH1A1
SCHEMBL7070567 0.81 CHRM4 (0.35) KMT2AMEN1ABCC8KCNJ11KDM4E
SCHEMBL7070580 0.77 MEN1 (0.33) KMT2AMEN1RIPK1KDM4C
SCHEMBL7067549 0.76
SCHEMBL7000793 0.75 ABCC8 (0.30) ABCC8KCNJ11
SCHEMBL7075256 0.74 ABCC8 (0.43) KMT2AMEN1HTR5ARIPK1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003105896-A1 COMBINED USE OF A MODULATOR OF CD3 AND A BETA CELL RESTING COMPOUND NOVO NORDISK A/S (DK) 2003-12-24 WO claimed
WO-2003045954-A1 USE OF SELECTIVE POTASSIUM CHANNEL OPENERS NOVO NORDISK A/S (DK) 2003-06-05 WO claimed
WO-2003045955-A1 USE OF SELECTIVE POTASSIUM CHANNEL OPENERS NOVO NORDISK A/S (DK) 2003-06-05 WO claimed
WO-2002000222-A1 USE OF POTASSIUM CHANNEL AGONISTS FOR THE TREATMENT OF CANCER NOVO NORDISK A/S (DK) 2002-01-03 WO claimed
WO-2002000223-A1 USE OF POTASSIUM CHANNEL AGONISTS FOR REDUCING FAT FOOD COMSUMPTION NOVO NORDISK A/S (DK) 2002-01-03 WO claimed
WO-2003105896-A1 COMBINED USE OF A MODULATOR OF CD3 AND A BETA CELL RESTING COMPOUND NOVO NORDISK A/S (DK) 2003-12-24 WO disclosed
WO-2003045954-A1 USE OF SELECTIVE POTASSIUM CHANNEL OPENERS NOVO NORDISK A/S (DK) 2003-06-05 WO disclosed
WO-2003045955-A1 USE OF SELECTIVE POTASSIUM CHANNEL OPENERS NOVO NORDISK A/S (DK) 2003-06-05 WO disclosed
WO-2002000222-A1 USE OF POTASSIUM CHANNEL AGONISTS FOR THE TREATMENT OF CANCER NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed
WO-2002000223-A1 USE OF POTASSIUM CHANNEL AGONISTS FOR REDUCING FAT FOOD COMSUMPTION NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed
EP-1000066-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-17 EP disclosed
WO-1999003861-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-28 WO disclosed