SCHEMBL9968216

SCHEMBL9968216

CC(C)(C)c1ccc2c(n1)c1ncccc1n2-c1ccc(-c2ccc(-n3c4cccnc4c4nc(C(C)(C)C)ccc43)cc2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NR3C1 P04150 11/20 0.35
PGR P06401 7/20 0.35
AR P10275 4/20 0.35
TOP1 P11387 2/20 0.34
PTGS2 P35354 2/20 0.34
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL9968175 0.77 AKT1 (0.36) PTGS2
SCHEMBL9968191 0.72 CCR1 (0.35)
SCHEMBL9968114 0.71 ADORA3 (0.42) S1PR1
SCHEMBL28232798 0.70 KDM4E (0.46) S1PR1S1PR3NR3C1PGRAR
SCHEMBL11910145 0.68 KDM4E (0.38)
SCHEMBL9968212 0.66 POLB (0.34) PTGS2
SCHEMBL12011901 0.66 L3MBTL1 (0.37) S1PR1S1PR3ARTOP1
SCHEMBL13292956 0.66 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL11978683 0.65 ALDH1A1 (0.45)
SCHEMBL21206932 0.65 CYP2C9 (0.33)

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed