SCHEMBL6638447

SCHEMBL6638447

COc1ccccc1CNC(=O)OSc1ccc2cnccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.43
MAOB P27338 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6641211 0.90 POLB (0.43) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL5095592 0.81 MEN1 (0.78) MEN1KMT2APOLBSMN1; SMN2ROCK2
SCHEMBL6639749 0.78 ROCK2 (0.55) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL6636659 0.75 KMT2A (0.60) MEN1KMT2APOLBSMN1; SMN2ROCK2
SCHEMBL6994625 0.72 POLB (0.53) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL7000901 0.72 MAOB (0.72) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL6638216 0.71 CCR3 (0.34) ROCK2ALDH1A1
SCHEMBL5096125 0.70 MEN1 (0.61) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL13434069 0.70 HPGD (0.69) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL6999169 0.69 MEN1 (0.60) MEN1KMT2APOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed