SCHEMBL13360686

SCHEMBL13360686

C=C(C)OC(=O)Cc1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
NAMPT P43490 1/20 0.36
P2RX7 Q99572 1/20 0.36
HPGDS O60760 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CYP19A1 P11511 3/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPK14 Q16539 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL11716600 0.80 P2RX7 (0.43) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL29159095 0.79 GPR119 (0.40) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL27836066 0.78 P2RX7 (0.41) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL4092815 0.78 P2RX7 (0.43) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL11371248 0.78 NAMPT (0.49) NAMPTHSD17B10NLRP3KDM4EMAPT
SCHEMBL13360708 0.77 CYP19A1 (0.53) CYP19A1
SCHEMBL16402857 0.75 P2RX7 (0.41) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL27581725 0.74 P2RX7 (0.41) SYKAURKBINCENPNAMPTP2RX7
SCHEMBL23293440 0.72 P2RX7 (0.46) P2RX7CTNNB1WNT3AHSD17B10TDP1
SCHEMBL18343474 0.72 P2RX7 (0.42) SYKAURKBINCENPNAMPTP2RX7

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
US-20100112474-A1 PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE FILM, METHOD FOR FORMING A PERMANENT PATTERN, AND PRINTED BOARD FUJIFILM CORPORATION (JP) 2010-05-06 US disclosed