SCHEMBL16948895

SCHEMBL16948895

Cc1cc(C(F)(F)F)ccc1-c1nc(C)c(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
DHODH Q02127 2/20 0.37
PTPN1 P18031 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
KIF11 P52732 1/20 0.37
TOP1 P11387 2/20 0.37
NPBWR1 P48145 1/20 0.37
CRHR1 P34998 1/20 0.36
XDH P47989 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
MAPK14 Q16539 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
SCHEMBL16622278 0.84 KIF11 (0.46) DHODHTRPV1KIF11TOP1MAPK14
SCHEMBL16622249 0.78 CYP1A2 (0.41) CYP1A2TRPV1TOP1
SCHEMBL16622236 0.78 MAPK14 (0.46) MAPK14
SCHEMBL16948786 0.75 ALDH1A1 (0.44) LMNA
SCHEMBL15256069 0.73 TDP1 (0.51) DHODHLMNA
SCHEMBL14317985 0.72 DHODH (0.42) DHODHTOP1MAPK14
SCHEMBL21131180 0.72 CYP1A2 (0.47) CYP1A2KIF11
SCHEMBL13320968 0.71 CYP1A2 (0.42) CYP1A2TRPV1CRHR1
SCHEMBL15256080 0.70 NPC1 (0.40) LMNA
SCHEMBL10078969 0.70 NPBWR1 (0.47) CYP1A2KIF11NPBWR1

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-20150214484-A1 Organometallic Complex and Light Emitting Element, Light Emitting Device, and Electronic Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-30 US disclosed