SCHEMBL27503544

SCHEMBL27503544

Oc1cccc2nccnc12.[GaH3]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
TSHR P16473 2/20 0.54
METAP2 P50579 2/20 0.54
METAP1 P53582 2/20 0.54
MMP2 P08253 1/20 0.54
CHRM1 P11229 1/20 0.54
COMT P21964 1/20 0.54
ADRA1A P35348 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
KDM4E B2RXH2 10/20 0.52
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 3/20 0.46

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
SCHEMBL8510518 1.00 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL8507966 1.00 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL276921 0.98 ACHE (0.56) ACHETSHRMETAP2METAP1MMP2
SCHEMBL28871758 0.95 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL27575713 0.95 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL4276275 0.95 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
Hydrochloric Acid SCHEMBL28763289 0.95 ACHE (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL276385 0.82 METAP2 (0.54) ACHETSHRMETAP2METAP1MMP2
SCHEMBL29577533 0.82 METAP2 (0.54) ACHETSHRMETAP2METAP1MMP2
Oxyquinoline SCHEMBL5514040 0.81 TSHR (0.75) ACHETSHRMETAP2METAP1MMP2

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-1245581-A Organic light emitting device containing protection layer UNIV PRINCETON (US) 2000-02-23 CN disclosed