SCHEMBL6617628

SCHEMBL6617628

O=C(NC1=NS(=O)(=O)c2cnccc2N1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
NAMPT P43490 3/20 0.45
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
STAT3 P40763 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
KCNK3 O14649 2/20 0.41
POLB P06746 2/20 0.40
BCAT2 O15382 1/20 0.40
ROCK2 O75116 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
SCHEMBL6618073 0.76 EGFR (0.43) KDM4DKDM4CNAMPTKMT2AMEN1
SCHEMBL6617228 0.76 CA12 (0.36) NAMPTSMN1; SMN2LMNA
SCHEMBL7083730 0.74 KDM6B (0.44) KDM4CNAMPTRAB9AKMT2ANPC1
SCHEMBL8722364 0.73 KDM4D (0.46) KDM4DKDM4CNAMPTJAK2TYK2
SCHEMBL6619220 0.70 CA12 (0.34) SMN1; SMN2LMNA
SCHEMBL6618015 0.70 CA12 (0.34) KDM4CNAMPTSMN1; SMN2LMNA
SCHEMBL2364650 0.69 CA12 (0.42) NAMPTSMN1; SMN2KDM4EHCAR3
SCHEMBL6620058 0.69 CXCR2 (0.31)
Water SCHEMBL8623502 0.69 KDM4C (0.38) KDM4CNAMPTSMN1; SMN2LMNAHCAR3
SCHEMBL8621101 0.69 LATS1 (0.39) NAMPTKMT2AMEN1MAPTMAPK1

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
EP-0877748-B1 PYRIDO-1,2,4-THIADIAZINE AND PYRIDO-1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE UNIV LIEGE (BE) 2004-11-03 EP disclosed
US-5792764-A ENDOCRINE DISORDERS ESPECIALLY AS A K(ATP)-CHANNEL MODULATOR NOVO NORDISK A/S (DK) 1998-08-11 US disclosed