SCHEMBL7297825

SCHEMBL7297825

COc1cc(C2CNCCS2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.59
MAOB P27338 4/20 0.48
MAPK1 P28482 2/20 0.43
OPRK1 P41145 1/20 0.43
PTAFR P25105 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
PTPN1 P18031 1/20 0.41
ACHE P22303 1/20 0.41
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 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) MAPK1PTAFRKMT2AALDH1A1MEN1
SCHEMBL12470606 0.74 ERN1 (0.54) MAPK1PTAFRKMT2AALDH1A1LMNA
SCHEMBL1636984 0.74 MAOA (1.00) MAOAMAOBKMT2A
SCHEMBL16461902 0.73 MAOA (0.68) MAOAMAOBKMT2AMEN1KDM4E
SCHEMBL27394560 0.72 MAOA (0.55) MAOAMAOBKMT2AMEN1TSHR
SCHEMBL7297817 0.72 PTAFR (0.42) MAPK1PTAFRKMT2AALDH1A1LMNA
SCHEMBL1636592 0.71 KMT2A (0.47) MAPK1OPRK1PTAFRKMT2AALDH1A1
SCHEMBL28284932 0.71 HTR2A (0.59) MAPK1OPRK1
SCHEMBL7023428 0.71 PTAFR (0.56) MAPK1PTAFRKMT2AALDH1A1LMNA
SCHEMBL7023424 0.71 PTAFR (0.56) MAPK1PTAFRKMT2AALDH1A1LMNA

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