SCHEMBL10558121

SCHEMBL10558121

O=C1C(Cl)=C(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ NSD2 O96028 2/20 0.54
▸ TDP2 O95551 2/20 0.54
▸ PLA2G1B P04054 1/20 0.54
▸ ATG4B Q9Y4P1 1/20 0.54
▸ GBA1 P04062 2/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD11B1 P28845 5/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MITF O75030 1/20 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
SCHEMBL10562284 0.84 NSD2 (0.62) KMT2AMEN1NSD2TDP2PLA2G1B
SCHEMBL31684031 0.75 KMT2A (0.87) KMT2AMEN1GBA1LMNAMAPK1
SCHEMBL3212651 0.74 HSD11B1 (0.67) KMT2AMEN1GBA1ALDH1A1HSD11B1
SCHEMBL27596864 0.74 KMT2A (0.84) KMT2AMEN1GBA1LMNAHTT
SCHEMBL5349113 0.73 KMT2A (0.61) KMT2AMEN1GBA1LMNAMAPK1
SCHEMBL27500250 0.73 KMT2A (0.81) KMT2AMEN1GBA1LMNAMAPK1
SCHEMBL4420766 0.73 KMT2A (0.81) KMT2AMEN1GBA1LMNAMAPK1
SCHEMBL30032582 0.73 KMT2A (0.81) KMT2AMEN1GBA1LMNAMAPK1
SCHEMBL8568869 0.72 NSD2 (0.73) KMT2AMEN1NSD2TDP2PLA2G1B
SCHEMBL30150274 0.72 KMT2A (0.79) KMT2AMEN1GBA1LMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4829089-A ANTIINFLAMMATORY, BRONCHODILATOR AMERICAN CYANAMID COMPANY (US) 1989-05-09 — — US disclosed
US-4771061-A Substituted piperazine-1,4-naphthalenediones useful for treating asthma, allergic diseases and/or inflammation AMERICAN CYANAMID COMPANY (US) 1988-09-13 — — US disclosed
US-4686220-A Substituted 2-[b-substituted-amino)-ethylamino]-1,4-naphthalenediones for treating asthma, allergic diseases and inflammation in warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-08-11 — — US disclosed
EP-0226842-A2 Substituted 1,4-naphthalenediones, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1987-07-01 — — EP disclosed
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