SCHEMBL8501890

SCHEMBL8501890

COc1ccc(C(=O)c2cccc(Cc3ccn[nH]c3=O)c2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38

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
SCHEMBL8505747 0.89 KMT2A (0.45) ALDH1A1ALOX15MAPK1SMN1; SMN2KMT2A
SCHEMBL8504856 0.88 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1SMN1; SMN2KMT2A
SCHEMBL7583782 0.78 KMT2A (0.42) ALDH1A1ALOX15MAPK1SMN1; SMN2KMT2A
SCHEMBL8503196 0.74 MEN1 (0.41) ALDH1A1ALOX15MAPK1KMT2AHTT
SCHEMBL8501886 0.72 NPBWR1 (0.45) SMN1; SMN2KMT2ANPSR1TP53NPC1
SCHEMBL8502484 0.72 HPGD (0.48) ALDH1A1ALOX15MAPK1SMN1; SMN2GAA
SCHEMBL8501881 0.68 ALDH1A1 (0.38) ALDH1A1ALOX15KMT2AHTTMEN1
SCHEMBL28520850 0.68 KMT2A (0.64) ALDH1A1MAPK1SMN1; SMN2KMT2AGAA
SCHEMBL7583160 0.67 KMT2A (0.42) ALDH1A1ALOX15MAPK1SMN1; SMN2KMT2A
SCHEMBL8504948 0.67 ALDH1A1 (0.37) ALDH1A1ALOX15KMT2AHTTMEN1

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
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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