SCHEMBL7816449

SCHEMBL7816449

C=C(C)COc1ccc(Br)cc1CN(CC)c1ccc(C(=O)OCCCC)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER1 P34995 1/20 0.33
ESR1 P03372 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7813030 0.92 ALDH1A1 (0.36) ATMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7671498 0.92 LMNA (0.41) ATMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7810577 0.91 ALDH1A1 (0.36) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL7667879 0.90 SMN1; SMN2 (0.40) ATMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7810908 0.90 ALDH1A1 (0.33) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL7666981 0.87 ALDH1A1 (0.39) ATMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1901395 0.86 PTGDR2 (0.40) MEN1KMT2AHTTNPC1PTGDR2
SCHEMBL7803964 0.85 PTGDR2 (0.37) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL7816451 0.85 LMNA (0.37) ATMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7816453 0.85 LMNA (0.37) ATMSMN1; SMN2LMNAMEN1KMT2A

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
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6100258-A 6-(N-(5-BROMO-2-(2-METHYLPROP-2-EN-1-YLOXY)BENZYL)-N -ETHYLAMINO)-PYRIDAZIN-3-YLCARBOXYLIC ACID, AND OTHER 3,6-DISUBSTITUTED PYRIDAZINE DERIVATIVES OF SPECIFIED FORMULA; RELIEVING PAIN ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed