SCHEMBL27778197

SCHEMBL27778197

NCc1ccc(C2=NN(c3ccccc3)C(c3ccc(N)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ PRKCZ Q05513 3/20 0.57
▸ GAA P10253 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ EGFR P00533 7/20 0.53
▸ ERBB2 P04626 6/20 0.53
▸ NR3C2 P08235 1/20 0.53
▸ ERBB3 P21860 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ ATM Q13315 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL27741002 0.89 EGFR (0.65) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11124158 0.88 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27799194 0.84 CA1 (0.67) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10654063 0.81 MEN1 (0.91) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13680429 0.81 EGFR (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL14338087 0.81 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13680425 0.81 EGFR (0.75) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL19700318 0.79 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28912549 0.79 EGFR (0.61) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28785842 0.78 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101693763-B Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and synthesis method thereof UNIV SICHUAN 2011-06-01 — — CN disclosed
CN-101693763-A Hydrogen-bond self-assembly super-molecular blue-fluorescence polymer and symmetric method thereof UNIV SICHUAN 2010-04-14 — — CN disclosed
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