SCHEMBL8504731

SCHEMBL8504731

O=C(c1ccc(Cl)c(Cc2ccn[nH]c2=O)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.35
▸ WDR5 P61964 1/20 0.33
▸ ALOX15 P16050 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 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
SCHEMBL8502116 0.91 MEN1 (0.38) HPGDSALOX15ALDH1A1MEN1KMT2A
SCHEMBL8502519 0.91 MRGPRX4 (0.36) HPGDSWDR5ALOX15ALDH1A1MEN1
SCHEMBL8506458 0.90 MRGPRX4 (0.37) HPGDSALOX15ALDH1A1MEN1KMT2A
SCHEMBL8505814 0.87 ADRB2 (0.42) ALOX15ALDH1A1MEN1KMT2AHTT
SCHEMBL8503802 0.85 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8503702 0.83 IL4I1 (0.37) —
SCHEMBL8505616 0.83 L3MBTL1 (0.42) ALDH1A1HTTMAPTUSP2L3MBTL1
SCHEMBL8502190 0.82 GAA (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8503180 0.79 ALDH1A1 (0.37) WDR5ALDH1A1MEN1KMT2AMAPT
SCHEMBL8501896 0.78 NPC1 (0.38) ALOX15ALDH1A1MEN1KMT2AHTT

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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