SCHEMBL4330743

SCHEMBL4330743

Cc1ccc(-[n+]2ccc(-c3cc[n+](CCP(=O)(O)O)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FDPS P14324 2/20 0.34
▸ MMP8 P22894 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
Hydrochloric Acid SCHEMBL600761 0.98 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ALMNATSHR
Hydrochloric Acid SCHEMBL234296 0.85 PGK1 (0.33) ALDH1A1KDM4ERAB9AFDPSMEN1
Hydrochloric Acid SCHEMBL601282 0.83 ACHE (0.40) BCHEACHE
Hydrochloric Acid SCHEMBL194414 0.82 PGK1 (0.37) PTPN5
SCHEMBL1226951 0.82 MEN1 (0.39) ALDH1A1KDM4ERAB9ALMNAMEN1
SCHEMBL10000931 0.81 PTPN5 (0.38) CA12CA1MAPTMMP1MMP2
Hydrochloric Acid SCHEMBL604164 0.80 PTPN5 (0.38) MAPTMMP2MMP3PTPN5
Hydrochloric Acid SCHEMBL210855 0.80 MEN1 (0.38) ALDH1A1KDM4ERAB9ALMNAMEN1
Bromide SCHEMBL918125 0.80 MEN1 (0.38) ALDH1A1KDM4ERAB9ALMNAMEN1
SCHEMBL5565749 0.79 PGK1 (0.33) FDPSMEN1KMT2ATP53CYP1A2

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
EP-2096490-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME Konica Minolta Holdings, Inc. (JP) 2009-09-02 — — EP disclosed
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