SCHEMBL7399036

SCHEMBL7399036

O=C(O)Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HTT P42858 1/20 0.70
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
NAMPT P43490 2/20 0.59
HDAC6 Q9UBN7 1/20 0.58
KDM4E B2RXH2 1/20 0.56
NR1H4 Q96RI1 2/20 0.55
KHK P50053 2/20 0.55
CASP6 P55212 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7399035 0.90 KDM4E (0.56) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL19994476 0.84 POLB (0.76) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL5151137 0.80 NAMPT (0.55) POLBSMN1; SMN2HTTRAB9AKMT2A
SCHEMBL8668234 0.78 SMN1; SMN2 (0.60) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL24124854 0.77 POLB (0.65) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL24124781 0.77 POLB (0.64) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL22452788 0.76 POLB (0.63) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL8665430 0.76 SMN1; SMN2 (0.54) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL8668500 0.76 POLB (0.54) POLBSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1055278 0.76 HDAC6 (0.74) POLBSMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
US-5756504-A TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR MERCK & CO., INC. (US) 1998-05-26 US disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US disclosed
EP-0751773-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0751773-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-08 EP disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
US-5464788-A Stopping labor MERCK & CO., INC. (US) 1995-11-07 US disclosed
WO-1995025443-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-28 WO disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed