SCHEMBL7816451

SCHEMBL7816451

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PTGER1 P34995 1/20 0.32
ESR1 P03372 2/20 0.32
CCR5 P51681 1/20 0.32
CYP1A2 P05177 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL7816453 1.00 LMNA (0.37) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7671498 0.91 LMNA (0.41) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7667879 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8600199 0.87 SMN1; SMN2 (0.35) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8067463 0.86 PTGER1 (0.38) MEN1KMT2APTGER1CCR5CYP1A2
SCHEMBL8067458 0.86 PTGER1 (0.38) MEN1KMT2APTGER1CCR5CYP1A2
SCHEMBL7666981 0.86 ALDH1A1 (0.39) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7816449 0.85 ATM (0.36) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7813030 0.84 ALDH1A1 (0.36) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7665571 0.84 ATM (0.36) LMNASMN1; SMN2NPC1RAB9AMEN1

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 3 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
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed