SCHEMBL8063285

SCHEMBL8063285

C=CCOc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PTGER1 P34995 9/20 0.37
CYP1A2 P05177 1/20 0.37
CCR5 P51681 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7816794 0.89 KMT2A (0.41) MEN1KMT2AHTTMAPK1GAA
SCHEMBL8067458 0.89 PTGER1 (0.38) MEN1KMT2APTGER1CYP1A2CCR5
SCHEMBL8067463 0.89 PTGER1 (0.38) MEN1KMT2APTGER1CYP1A2CCR5
SCHEMBL7813525 0.88 GAA (0.49) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL7662551 0.87 HPGD (0.42) MEN1KMT2AHTTHPGDPTGER1
SCHEMBL1901395 0.86 PTGDR2 (0.40) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL7666905 0.86 LMNA (0.43) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL7816791 0.85 MEN1 (0.43) MEN1KMT2AHTTMAPK1GAA
SCHEMBL7816753 0.85 PTGDR2 (0.40) MEN1KMT2AHTTTSHRPTGER1
SCHEMBL7670592 0.85 ALDH1A1 (0.43) MEN1KMT2AALDH1A1PTGER1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed