SCHEMBL3788644

SCHEMBL3788644

O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4CP(=O)(O)O)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ ACP3 P15309 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SCD O00767 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MAPK1 P28482 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
Hydrochloric Acid SCHEMBL602853 0.99 RAB9A (0.36) RAB9AMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL604049 0.87 ACP3 (0.40) ACP3MAPK1
SCHEMBL3788645 0.85 MEN1 (0.41) RAB9AMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL602954 0.82 ACP3 (0.36) ACP3
Hydrochloric Acid SCHEMBL193315 0.82 ACP3 (0.36) RAB9AACP3ALDH1A1
Hydrochloric Acid SCHEMBL604657 0.82 MMP2 (0.38) ACP3CA12CA1CA2CA9
SCHEMBL1108033 0.80 RAB9A (0.55) RAB9AMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL601325 0.80 PTPN5 (0.36) RAB9AMEN1KMT2ANPC1ACP3
Hydrochloric Acid SCHEMBL602092 0.78 RAB9A (0.39) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL12544643 0.77 RAB9A (0.56) RAB9AMEN1KMT2ALMNAMAPT

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
WO-2010099147-A1 ADVANCED ELECTRODE STRUCTURES AND ELECTROCHROMIC DEVICES NTERA INC. (US) 2010-09-02 — — WO disclosed
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