SCHEMBL8065385

SCHEMBL8065385

CC(C)(C)c1ccc(-c2ccc[c]c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
GRM2 Q14416 1/20 0.36
S1PR1 P21453 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.33
PTPN5 P54829 1/20 0.33
GRIA4 P48058 5/20 0.32
GRIA2 P42262 4/20 0.32
KDM4E B2RXH2 1/20 0.32
XDH P47989 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MGAT2 Q10469 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL5664674 0.79 L3MBTL1 (0.39) LMNASMN1; SMN2KDM4ETSHR
SCHEMBL7007538 0.78 NPSR1 (0.37) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL7702905 0.76 KIF11 (0.38) KIF11S1PR1NPC1RAB9ALMNA
SCHEMBL9869167 0.75 PTGS2 (0.51)
SCHEMBL2406494 0.75 KMT2A (0.42) KIF11S1PR1NPC1RAB9ALMNA
SCHEMBL19797926 0.73 ESR2 (0.59) KIF11S1PR1PTPN5GRIA4GRIA2
SCHEMBL8529551 0.72 KIF11 (0.38) KIF11S1PR1NPC1RAB9ALMNA
SCHEMBL6397214 0.72 KIF11 (0.35) KIF11S1PR1NPC1RAB9ALMNA
SCHEMBL16953849 0.72 CA2 (0.35) KIF11TSHR
SCHEMBL6192365 0.70 KDM4E (0.33) KDM4E

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-6036766-A SPINNING SOLUTIONS, PAINTS, COATINGS, PRINTING INKS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-14 US disclosed