SCHEMBL10562284

SCHEMBL10562284

O=C1C(Cl)=C(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.62
▸ TDP2 O95551 2/20 0.62
▸ PLA2G1B P04054 1/20 0.62
▸ ATG4B Q9Y4P1 1/20 0.62
▸ POLB P06746 2/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ GALK1 P51570 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HKDC1 Q2TB90 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ CHRM4 P08173 7/20 0.54
▸ ALDH1A1 P00352 2/20 0.54

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
SCHEMBL10558121 0.84 KMT2A (0.66) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL10723724 0.81 CHRM4 (0.64) POLBKMT2AMAPTCHRM4ALDH1A1
SCHEMBL2961026 0.79 CHRM4 (0.62) KMT2AMAPTCHRM4ALDH1A1SMN1; SMN2
SCHEMBL8568869 0.78 NSD2 (0.73) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL3223553 0.77 CHRM4 (0.61) MAPTCHRM4ALDH1A1MAPK1GBA1
SCHEMBL2962429 0.77 MEN1 (0.62) KMT2ACHRM4ALDH1A1SMN1; SMN2MEN1
SCHEMBL8651868 0.77 NSD2 (1.00) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL17249912 0.77 NSD2 (0.71) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL10446114 0.77 NSD2 (0.71) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL2953603 0.75 MAPT (0.59) KMT2AMAPTCHRM4ALDH1A1L3MBTL1

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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