SCHEMBL29944962

SCHEMBL29944962

C1=CN(c2ccccc2)C(c2cccnc2)N=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.39
NPEPPS P55786 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA2 Q15822 2/20 0.36
LMNA P02545 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
PSIP1 O75475 1/20 0.36

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
SCHEMBL28023719 0.76 FADS1 (0.38) MAPTMAPK1ALDH1A1GAATDP1
SCHEMBL4791231 0.71 CHRNB2 (0.40) MAPTHTTMAPK1CHRNB2CHRNA4
SCHEMBL28192142 0.69 MAPT (0.44) MAPTHTTMAPK1ALDH1A1GAA
SCHEMBL27945514 0.68 AKT1 (0.40)
SCHEMBL27727248 0.67 MAOA (0.33) MAPTGAANPSR1
SCHEMBL20658953 0.67 SMN1; SMN2 (0.31) MAPTNPSR1
SCHEMBL28023706 0.67 MAPT (0.30) MAPTNPSR1
SCHEMBL27945472 0.67 MAPT (0.30) MAPTNPSR1
SCHEMBL28024161 0.67 MAPT (0.30) MAPTNPSR1
SCHEMBL28031694 0.64 MEN1 (0.30)

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
CN-115232110-A Fluorenone derivative with sandwich structure, preparation method thereof and organic light-emitting device 广东工业大学 2022-10-25 CN disclosed