SCHEMBL4681963

SCHEMBL4681963

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 1/20 0.32
LIN28A Q9H9Z2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
METAP1 P53582 1/20 0.31
BLM P54132 1/20 0.31
DOHH Q9BU89 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL8629466 0.95 SMN1; SMN2 (0.31) SMN1; SMN2HIF1AKDM4ELMNACYP1A2
SCHEMBL4697504 0.93 FLT3 (0.32) SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL4686084 0.93 FLT3 (0.32) SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL4685183 0.89 LMNA (0.33) SMN1; SMN2TDP1HIF1AKDM4ELMNA
SCHEMBL10972097 0.84 TDP1 (0.34) TDP1HIF1AKDM4ELMNACYP1A2
SCHEMBL11639333 0.82 CYP2D6 (0.39) SMN1; SMN2MAPTKDM4ELMNACYP1A2
SCHEMBL4681960 0.82 HDAC8 (0.33) SMN1; SMN2HIF1AKDM4ELMNACYP1A2
SCHEMBL4687369 0.81 LMNA (0.36) SMN1; SMN2TDP1HIF1AKDM4ELMNA
SCHEMBL5712290 0.81 LMNA (0.39) SMN1; SMN2KDM4ELMNACYP1A2ALOX15
SCHEMBL4685253 0.81 HDAC8 (0.32) HIF1AKDM4ELMNACYP1A2POLB

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