SCHEMBL6613488

SCHEMBL6613488

CC(NC(=O)Oc1cncnc1Oc1ccc2c(c1)OCO2)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 4/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6610072 0.82 HPGD (0.48) HPGDPOLBSMN1; SMN2ALOX15KMT2A
SCHEMBL6610804 0.77 PDE4A (0.39) HPGDSMN1; SMN2KMT2APDE4APDE4B
SCHEMBL6612284 0.75 CYP1A2 (0.48) HPGDSMN1; SMN2KMT2APDE4APDE4B
SCHEMBL6616317 0.75 ALDH1A1 (0.45) HPGDPOLBSMN1; SMN2KMT2APDE4A
SCHEMBL6615636 0.73 NPC1 (0.40) HPGDPOLBSMN1; SMN2KMT2APDE4A
SCHEMBL6613895 0.73 ALDH1A1 (0.45) HPGDSMN1; SMN2ALOX15KMT2APDE4A
SCHEMBL6612753 0.72 ALDH1A1 (0.46) HPGDPOLBSMN1; SMN2KMT2ALMNA
SCHEMBL6610452 0.72 NPC1 (0.38) HPGDSMN1; SMN2KMT2APDE4APDE4B
SCHEMBL6614342 0.71 ALDH1A1 (0.45) HPGDSMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL6611896 0.68 LMNA (0.45) HPGDPOLBSMN1; SMN2KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed