SCHEMBL8629466

SCHEMBL8629466

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
DOHH Q9BU89 1/20 0.30
P4HTM Q9NXG6 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
SCHEMBL4686084 0.98 FLT3 (0.32) SMN1; SMN2KDM4EFLT3TYRO3MERTK
SCHEMBL4697504 0.98 FLT3 (0.32) SMN1; SMN2KDM4EFLT3TYRO3MERTK
SCHEMBL4681963 0.95 SMN1; SMN2 (0.32) SMN1; SMN2KDM4ELMNACYP1A2POLB
SCHEMBL4685183 0.87 LMNA (0.33) SMN1; SMN2KDM4ELMNACYP1A2POLB
SCHEMBL5712290 0.83 LMNA (0.39) SMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL4685253 0.83 HDAC8 (0.32) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL10972097 0.82 TDP1 (0.34) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4697503 0.81 HDAC8 (0.31)
SCHEMBL4686082 0.81 HDAC8 (0.31)
SCHEMBL4681960 0.81 HDAC8 (0.33) SMN1; SMN2KDM4ELMNACYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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