SCHEMBL3943376

SCHEMBL3943376

O=[N+]([O-])c1ccc(NCl)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.62
KMT2A Q03164 10/20 0.62
MAPT P10636 7/20 0.62
GAA P10253 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
ALOX12 P18054 1/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
PABPC1 P11940 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL20796131 0.86 MEN1 (0.74) MEN1KMT2AMAPTGAALMNA
SCHEMBL8503181 0.82 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL8503182 0.82 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL31503950 0.82 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL930847 0.82 GAA (0.65) MEN1KMT2AMAPTGAALMNA
SCHEMBL1446574 0.82 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL5528679 0.82 GAA (0.65) MEN1KMT2AMAPTGAALMNA
SCHEMBL18469873 0.82 KMT2A (0.60) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL3117154 0.81 KMT2A (0.58) MEN1KMT2AMAPTGAALMNA
SCHEMBL28217933 0.79 KMT2A (0.57) MEN1KMT2AMAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596491-B1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA (JP) 1996-07-10 EP claimed
US-5491239-A Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA LTD. (JP) 1996-02-13 US claimed
EP-0596491-A1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-05-11 EP claimed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
EP-0596491-B1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA (JP) 1996-07-10 EP disclosed
US-5491239-A Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA LTD. (JP) 1996-02-13 US disclosed
EP-0596491-A1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-05-11 EP disclosed