SCHEMBL10620807

SCHEMBL10620807

O=[N+]([O-])c1ccccc1N1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
EED O75530 1/20 0.56
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
GSK3B P49841 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PDE4B Q07343 1/20 0.49
MITF O75030 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL11464258 0.90 ALDH1A1 (0.61) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL10624297 0.85 KMT2A (0.54) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL9192032 0.85 EED (0.52) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL10625637 0.85 MAPK1 (0.57) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL10620858 0.85 EED (0.47) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL10621507 0.85 KMT2A (0.57) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL10621375 0.85 EED (0.52) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL28898751 0.79 MAPT (0.56) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL16538200 0.77 MAPT (0.46) KMT2AMEN1EEDMAPK1MAPT
SCHEMBL9194662 0.76 ALDH1A1 (0.50) KMT2AMEN1EEDMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764616-A ANALGESIC, ANTIPHYCHOTIC HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-16 US disclosed
US-4761412-A Benzopyrrolobenzodiazepines and quinobenzodiazepines useful for the treatment of psychoses HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-02 US disclosed
US-4723003-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-02-02 US disclosed
US-4723007-A ANALGESICS, ANTIPSYCHOTIC AGENTS; INTERMEDIATES FOR PROCESSING HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-02-02 US disclosed
US-4663453-A Benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepines having dopamine receptor activity HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-05-05 US disclosed
EP-0129692-A2 Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-01-02 EP disclosed