SCHEMBL7067708

SCHEMBL7067708

Clc1cc2c(s1)SN=C(NCCCCc1ccccc1)N2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
SIGMAR1 Q99720 9/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
MMP3 P08254 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
RIOX2 Q8IUF8 1/20 0.34
KDM8 Q8N371 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL7593572 0.92 PKM (0.39) GPR84L3MBTL1HPGDMMP3KDM4E
SCHEMBL8527253 0.79 PIK3CD (0.41) TYMPGPR84SIGMAR1L3MBTL1HPGD
SCHEMBL7079337 0.76 TYMP (0.40) TYMPGPR84SIGMAR1L3MBTL1HPGD
SCHEMBL7069104 0.71 ESR1 (0.36)
SCHEMBL7957832 0.66 TAAR1 (0.55) TYMPGPR84L3MBTL1PIK3CDPIK3R1
SCHEMBL7001965 0.64
SCHEMBL24050527 0.63 TAAR1 (0.49) TYMPGPR84HPGDPIK3CDPIK3R1
SCHEMBL7066375 0.63
SCHEMBL24050513 0.62 TAAR1 (0.56) TYMPHPGDPIK3CDPIK3R1KDM4E
SCHEMBL10851721 0.61 HPGD (0.56) SIGMAR1L3MBTL1HPGD

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
EP-0876379-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-11 EP claimed
WO-1997026265-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-24 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