SCHEMBL25660313

SCHEMBL25660313

N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
KIF11 P52732 3/20 0.36
SCN9A Q15858 1/20 0.35
XDH P47989 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MAT2A P31153 4/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.31
PDE2A O00408 1/20 0.31
PTPN5 P54829 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 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
SCHEMBL26777519 0.94 ALOX5AP (0.39) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL25660316 0.94 KIF11 (0.43) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL26777557 0.93 ALOX5AP (0.39) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL25660126 0.92 ALOX5AP (0.39) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL19917616 0.90 PTPN5 (0.41) ALOX5APFEN1KIF11SMN1; SMN2MAT2A
SCHEMBL25658541 0.90 ALOX5AP (0.41) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL25660294 0.90 ALOX5AP (0.40) ALOX5APFEN1KIF11XDHSMN1; SMN2
SCHEMBL25660556 0.90 KIF11 (0.44) ALOX5APFEN1KIF11SCN9AXDH
SCHEMBL26777627 0.90 ALOX5AP (0.42) ALOX5APFEN1SCN9AXDHAR
SCHEMBL25660628 0.89 ALOX5AP (0.39) ALOX5APFEN1KIF11SCN9AXDH

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
EP-3585777-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP disclosed