SCHEMBL20588490

SCHEMBL20588490

CCCCCCn1c[c]nn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.38
SMPD1 P17405 4/20 0.37
TBXAS1 P24557 1/20 0.36
KDR P35968 5/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
GBA1 P04062 3/20 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
SCHEMBL2333919 0.98 SLC9A1 (0.36) SLC9A1SMPD1TBXAS1KDRGBA1
SCHEMBL3739734 0.69 FABP4 (0.39) TBXAS1PTGS1PTGS2
SCHEMBL960665 0.68 TBXAS1 (0.40) SMPD1TBXAS1KDRPTGS1PTGS2
SCHEMBL959796 0.68 TBXAS1 (0.40) SMPD1TBXAS1KDRPTGS1PTGS2
SCHEMBL20936481 0.67 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDRPTGS1
SCHEMBL20915274 0.67 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDRPTGS1
SCHEMBL293470 0.67 TBXAS1 (0.34) SLC9A1SMPD1TBXAS1KDRPTGS1
SCHEMBL20915328 0.67 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDRPTGS1
SCHEMBL20936607 0.67 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDRPTGS1
SCHEMBL20915262 0.67 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638681-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA Quretech Bio AB (SE) 2020-04-22 EP claimed
WO-2018229141-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA QURETECH BIO AB (SE) 2018-12-20 WO claimed
EP-3638681-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA Quretech Bio AB (SE) 2020-04-22 EP disclosed
WO-2018229141-A1 RING-FUSED THIAZOLINO 2-PYRIDONES, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA QURETECH BIO AB (SE) 2018-12-20 WO disclosed