SCHEMBL8971887

SCHEMBL8971887

Cc1ccc(Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.69
RAPGEF4 Q8WZA2 1/20 0.66
MAPT P10636 4/20 0.61
GAA P10253 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
KIF11 P52732 5/20 0.60
FFAR1 O14842 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CDK7 P50613 1/20 0.59
CCNH P51946 1/20 0.59
CCNA1 P78396 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
IDH2 P48735 3/20 0.58
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL1921482 0.91 KIF11 (0.70) APPRAPGEF4MAPTGAATDP1
SCHEMBL9070348 0.87 RAPGEF4 (0.68) APPRAPGEF4MAPTGAATDP1
SCHEMBL394991 0.87 KIF11 (0.70) RAPGEF4MAPTGAATDP1KIF11
SCHEMBL1921505 0.85 KIF11 (0.64) APPRAPGEF4MAPTGAATDP1
SCHEMBL30575363 0.85 IDH2 (0.77) RAPGEF4MAPTGAAKIF11IDH2
SCHEMBL7347670 0.85 IDH2 (0.77) RAPGEF4MAPTGAAKIF11IDH2
SCHEMBL16411339 0.82 KIF11 (0.65) APPRAPGEF4MAPTGAATDP1
SCHEMBL28141909 0.82 KIF11 (0.60) APPRAPGEF4MAPTGAAKIF11
SCHEMBL4937177 0.81 KIF11 (0.56) APPRAPGEF4MAPTGAAKIF11
SCHEMBL9069757 0.81 APP (0.71) APPRAPGEF4MAPTGAATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475676-B1 Electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
EP-0620122-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1996-03-13 EP disclosed
EP-0620122-A1 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-10-19 EP disclosed