SCHEMBL7068004

SCHEMBL7068004

Clc1cc2c(s1)SN=C(NC1CCCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
RIPK1 Q13546 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
KMT5B Q4FZB7 1/20 0.30
KMT5C Q86Y97 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
SCHEMBL7069732 0.99 KMT2A (0.35) HTR5AMEN1KMT2AABCC8KCNJ11
SCHEMBL7071984 0.97 HTR5A (0.37) HTR5AMEN1KMT2AABCC8KCNJ11
SCHEMBL7067483 0.94 ABCC8 (0.31) HTR5AABCC8KCNJ11
SCHEMBL7071475 0.83 HTR5A (0.35) HTR5AMEN1KMT2A
SCHEMBL7066216 0.83 HTR5A (0.35) HTR5A
SCHEMBL7070567 0.79 CHRM4 (0.35) MEN1KMT2AABCC8KCNJ11
SCHEMBL7070580 0.78 MEN1 (0.33) MEN1KMT2ARIPK1KDM4CKMT5B
SCHEMBL7067549 0.77
SCHEMBL7004764 0.75 ABCC8 (0.31) ABCC8KCNJ11
SCHEMBL7000171 0.74 ABCC8 (0.33) ABCC8KCNJ11

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 8 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-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
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 US disclosed