SCHEMBL28023770

SCHEMBL28023770

NCc1cccc(-c2cc3ccc4c(N)ccc5ccc(c2N)c3c54)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.40
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
PNMT P11086 1/20 0.36
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
CDK8 P49336 1/20 0.33
ASH1L Q9NR48 1/20 0.33
ENPP2 Q13822 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
HTR7 P34969 1/20 0.32
PLG P00747 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
SCHEMBL27960568 0.83 NOS1 (0.39) NOS1NOS2NOS3PNMTCHEK1
SCHEMBL28982412 0.82 KEAP1 (0.38) ALDH1A1SMN1; SMN2IKBKBCRHBPCRHR2
SCHEMBL28188087 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FGFR1CRHBPCRHR2
SCHEMBL28115335 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FGFR1CRHBPCRHR2
SCHEMBL1666830 0.81 MAOB (0.40) CHEK1ALDH1A1SMN1; SMN2CYP3A4FGFR1
SCHEMBL29444827 0.81 MAOB (0.40) CHEK1ALDH1A1SMN1; SMN2CYP3A4FGFR1
SCHEMBL28680640 0.79 DHFR (0.36) ALDH1A1CYP3A4IKBKBCHUKCRHBP
SCHEMBL27811821 0.77 NOS1 (0.42) NOS1NOS2NOS3PNMTCHEK1
SCHEMBL27888424 0.75 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2NFKB1
SCHEMBL29444822 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP3A4

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
CN-104946243-B Fluorene derivative, light-emitting component, luminescent device, electronic device and illuminating device 株式会社半导体能源研究所 2018-12-14 CN disclosed
CN-104946243-A Fluorene derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCOTR ENERGY LAB CO LTD 2015-09-30 CN disclosed
CN-102040528-B Fluorene derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) 2015-08-05 CN disclosed