SCHEMBL10558378

SCHEMBL10558378

O=C1C(Cl)=C(C2CNCCN2)C(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
RAF1 P04049 1/20 0.41
MAPK3 P27361 1/20 0.41
MAP3K8 P41279 1/20 0.41
MAP2K1 Q02750 1/20 0.41
NSD2 O96028 5/20 0.38
G6PD P11413 2/20 0.38
CCR6 P51684 2/20 0.38
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HKDC1 Q2TB90 4/20 0.36
LMNA P02545 3/20 0.36
HSP90AA1 P07900 3/20 0.36
MITF O75030 2/20 0.36
HTT P42858 2/20 0.36
TLR9 Q9NR96 2/20 0.36

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
SCHEMBL10679729 0.81 CDC25A (0.40) IDO1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL28623338 0.71 HTR2C (0.43) IDO1DNMT1DNMT3LDNMT3ARAF1
SCHEMBL263979 0.68 HTR2C (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL916442 0.67 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3ARAF1
Hydrochloric Acid SCHEMBL7249716 0.67 HTR2C (0.41) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL11120217 0.67 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3ARAF1
Hydrochloric Acid SCHEMBL10382642 0.67 HTR2C (0.41) MAPTKMT2AMEN1LMNASMN1; SMN2
Anthraquinone SCHEMBL27788192 0.67 MEN1 (0.67) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL451612 0.66 SLC18A3 (0.43) MAPTKMT2AMEN1HPGDKDM4E
SCHEMBL1638075 0.66 SLC18A3 (0.43) MAPTKMT2AMEN1HPGDKDM4E

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