SCHEMBL10558097

SCHEMBL10558097

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
NSD2 O96028 3/20 0.66
POLB P06746 3/20 0.66
CASP3 P42574 2/20 0.66
GALK1 P51570 2/20 0.66
KMT2A Q03164 2/20 0.66
HKDC1 Q2TB90 2/20 0.66
SENP8 Q96LD8 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 2/20 0.66
APAF1 O14727 2/20 0.66
THRB P10828 1/20 0.66
RECQL P46063 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
TDP2 O95551 2/20 0.66
PLA2G1B P04054 1/20 0.66
ATG4B Q9Y4P1 1/20 0.66
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60

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
SCHEMBL10560224 0.83 TDP2 (0.48) MAPTNSD2POLBCASP3GALK1
SCHEMBL10558083 0.83 DHODH (0.57) MAPTNSD2POLBCASP3GALK1
SCHEMBL17249912 0.83 NSD2 (0.71) MAPTNSD2POLBCASP3GALK1
SCHEMBL17249925 0.81 MAPT (0.61) MAPTNSD2POLBCASP3GALK1
SCHEMBL8568869 0.80 NSD2 (0.73) MAPTNSD2POLBCASP3GALK1
SCHEMBL8651868 0.80 NSD2 (1.00) MAPTNSD2POLBCASP3GALK1
SCHEMBL28636224 0.79 NSD2 (1.00) MAPTNSD2POLBCASP3GALK1
SCHEMBL10446114 0.79 NSD2 (0.71) MAPTNSD2POLBCASP3GALK1
SCHEMBL10555913 0.79 ALDH1A1 (0.57) MAPTNSD2POLBCASP3GALK1
SCHEMBL10768489 0.78 NSD2 (0.64) MAPTNSD2POLBCASP3GALK1

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