SCHEMBL8525647

SCHEMBL8525647

CCCc1ncc(N)nc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
DHFR P00374 4/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
TLR8 Q9NR97 1/20 0.34
PDE10A Q9Y233 4/20 0.33
KDM4E B2RXH2 2/20 0.33
PLAU P00749 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6760288 0.86 DHFR (0.42) NOS2DHFRTLR8KDM4EALDH1A1
SCHEMBL6405350 0.83 NOS3 (0.36) NOS2NOS3NOS1DHFRHEXA
SCHEMBL10818297 0.72 GABRP (0.42) NOS2DHFRTLR8KDM4EALDH1A1
SCHEMBL28571987 0.71 NOS2 (0.48) HSP90AA1MAPK1RECQLNOS2NOS3
SCHEMBL28750598 0.71 GABRP (0.41) NOS2NOS3NOS1DHFRHEXA
SCHEMBL10399429 0.70 GABRP (0.40) NOS2NOS3NOS1DHFRHEXA
SCHEMBL12020149 0.68 NOS3 (0.39) NOS2NOS3NOS1HEXAHEXB
SCHEMBL17765160 0.68 MAPKAPK2 (0.56) HEXAHEXB
SCHEMBL23638023 0.67 ALDH1A1 (0.42) MAPK1RECQLNOS2KDM4EALDH1A1
SCHEMBL4604967 0.67 KDM4E (0.35) HSP90AA1MAPK1RECQLNOS2NOS3

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-0584511-B1 PROCESS FOR THE PREPARATION OF A COMPOSITE TEXTILE MATERIAL ALCANTARA SPA (IT) 1999-03-10 EP disclosed
EP-0584511-A1 A composite textile material and process for its preparation ALCANTARA S.p.A. (IT) 1994-03-02 EP disclosed