SCHEMBL4685183

SCHEMBL4685183

[O-][S+](CCO)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
P4HTM Q9NXG6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GAA P10253 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL4681963 0.89 SMN1; SMN2 (0.32) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL8629466 0.87 SMN1; SMN2 (0.31) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL4686084 0.86 FLT3 (0.32) LMNAKDM4ESMN1; SMN2KMT2AHRH1
SCHEMBL4697504 0.86 FLT3 (0.32) LMNAKDM4ESMN1; SMN2KMT2AHRH1
SCHEMBL4687369 0.84 LMNA (0.36) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL4685181 0.81 HDAC8 (0.35) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL8778184 0.81 KCNA5 (0.36) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL8778187 0.81 KDM4E (0.33) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL10972097 0.79 TDP1 (0.34) LMNAP4HTMKDM4ECYP1A2POLB
SCHEMBL11371215 0.79 ALDH1A1 (0.45) LMNAP4HTMKDM4ECYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed