SCHEMBL22562403

SCHEMBL22562403

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2cccc(-c3ccccc3)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 4/20 0.34
GSK3B P49841 3/20 0.33
MAT2A P31153 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL22562229 0.97 ENPP1 (0.35) ENPP1MAPTPDK2GSK3BMAT2A
SCHEMBL22562402 0.92 MAPT (0.35) ENPP1MAPTPDK2GSK3BMAT2A
SCHEMBL22562234 0.89 MAPT (0.38) MAPTPDK2GSK3BMAT2ADHODH
SCHEMBL22562344 0.89 PDK2 (0.37) ENPP1PDK2GSK3BTRPA1ERBB2
SCHEMBL22562471 0.87 GSK3B (0.34) ENPP1MAPTGSK3BMAT2ADHODH
SCHEMBL22562232 0.87 GSK3B (0.35) ENPP1MAPTGSK3BMAT2AGABRP
SCHEMBL22562228 0.86 ENPP1 (0.38) ENPP1PDK2GSK3BMAT2AGABRP
SCHEMBL22562474 0.86 GSK3B (0.35) ENPP1MAPTPDK2GSK3BMAT2A
SCHEMBL22562468 0.86 RAB9A (0.38) MAPTPDK2DHODHTOP1CDK2
SCHEMBL22562230 0.84 RAB9A (0.36) ENPP1MAPTGSK3BMAT2AGABRP

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed