SCHEMBL7297817

SCHEMBL7297817

COc1cc(C2C[N]CCS2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.42
ACHE P22303 3/20 0.41
PTPN1 P18031 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 0.36
TUBA3C P0DPH7 5/20 0.36
TUBA1B P68363 5/20 0.36
TUBA4A P68366 5/20 0.36
TUBB4B P68371 5/20 0.36
TUBB3 Q13509 5/20 0.36
TUBB2A Q13885 5/20 0.36
TUBB8 Q3ZCM7 5/20 0.36
TUBA3E Q6PEY2 5/20 0.36
TUBA1A Q71U36 5/20 0.36
TUBA1C Q9BQE3 5/20 0.36

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
SCHEMBL9203827 0.76 PTAFR (0.50) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7297825 0.72 MAOA (0.59) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7023424 0.71 PTAFR (0.56) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7023428 0.71 PTAFR (0.56) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7023416 0.71 PTAFR (0.56) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL9370482 0.69 PTAFR (0.46) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL5584986 0.68 PTAFR (0.53) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL9262929 0.68 TSHR (0.55) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7817877 0.68 PTAFR (0.45) PTAFRACHEPTPN1KMT2AMEN1
SCHEMBL7817882 0.68 PTAFR (0.45) PTAFRACHEPTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed