SCHEMBL3876256

SCHEMBL3876256

C=Cc1ncccc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.43
IDO1 P14902 1/20 0.38
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 3/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL21730198 0.79 PDE5A (0.40) PDE5AIDO1RAB9AMAPTALDH1A1
SCHEMBL4380609 0.79 GRM5 (0.45) PDE5AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5585297 0.75 PDE5A (0.38) PDE5AALDH1A1SMN1; SMN2SLC6A2KDM4E
SCHEMBL5585320 0.75 PDE5A (0.38) PDE5AALDH1A1SMN1; SMN2SLC6A2KDM4E
SCHEMBL5585291 0.75 PDE5A (0.38) PDE5AALDH1A1SMN1; SMN2SLC6A2KDM4E
SCHEMBL4726054 0.74 ALDH1A1 (0.48) PDE5AIDO1RAB9AMAPTALDH1A1
SCHEMBL4378934 0.74 NFE2L2 (0.51) PDE5ARAB9AMAPTALDH1A1LMNA
SCHEMBL2485504 0.74 MAPT (0.66) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4307757 0.73 CHRNB2 (0.46) PDE5AIDO1MAPTALDH1A1RECQL
SCHEMBL91148 0.73 S1PR4 (0.55) PDE5AIDO1RAB9AMAPTALDH1A1

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
WO-2009031105-A2 NON-HOMOGENEOUS MODIFICATION OF LIQUIDS KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-03-12 WO disclosed
EP-2034028-A1 Non-homogeneous modification of liquids Koninklijke Philips Electronics N.V. (NL) 2009-03-11 EP disclosed