SCHEMBL8067458

SCHEMBL8067458

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL8067463 1.00 PTGER1 (0.38) PTGER1CYP1A2MEN1KMT2ACCR5
SCHEMBL8063285 0.89 MEN1 (0.43) PTGER1CYP1A2MEN1KMT2ACCR5
SCHEMBL7816453 0.86 LMNA (0.37) PTGER1CYP1A2MEN1KMT2ACCR5
SCHEMBL7816451 0.86 LMNA (0.37) PTGER1CYP1A2MEN1KMT2ACCR5
SCHEMBL7662551 0.86 HPGD (0.42) PTGER1CYP1A2MEN1KMT2APTGDR2
SCHEMBL7666905 0.85 LMNA (0.43) PTGER1CYP1A2MEN1KMT2APTGDR2
SCHEMBL7963014 0.84 HCAR3 (0.45) CCR5
SCHEMBL7963017 0.84 HCAR3 (0.45) CCR5
SCHEMBL7670592 0.84 ALDH1A1 (0.43) PTGER1CYP1A2MEN1KMT2APTGDR2
SCHEMBL4868816 0.83 PTGER1 (0.54) PTGER1CYP1A2CCR5

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