SCHEMBL7246181

SCHEMBL7246181

CCCOc1ncc([N+](=O)[O-])cc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR6 P51684 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.43
AKR1B1 P15121 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL1313734 0.91 MAPT (0.53) MAPTPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL6442334 0.90 MAPT (0.48) MAPTPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL6447240 0.88 OPRK1 (0.46) MAPTPOLBSMN1; SMN2L3MBTL1NPC1
Nitric Acid SCHEMBL7388296 0.87 MAPT (0.50) MAPTPOLBSMN1; SMN2L3MBTL1NPC1
Nitric Acid SCHEMBL7392245 0.87 MAPT (0.46) MAPTPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL7247518 0.85 TP53 (0.44) MAPTPOLBL3MBTL1NPC1RAB9A
SCHEMBL2332293 0.82 MAPT (0.55) MAPTPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL8321809 0.81 MAPT (0.54) MAPTPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL9593080 0.80 MAPT (0.53) MAPTPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL28403320 0.80 OPRK1 (0.47) MAPTPOLBSMN1; SMN2L3MBTL1NPC1

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
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed