SCHEMBL8675423

SCHEMBL8675423

O=C(O)c1cnc(C=Cc2cc(Br)ccc2OCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.54
PTGER1 P34995 6/20 0.52
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CCR5 P51681 4/20 0.48
CYP1A2 P05177 1/20 0.48
PTPN1 P18031 1/20 0.46
PTP4A3 O75365 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LRRK2 Q5S007 3/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL8675421 1.00 GCK (0.54) GCKPTGER1USP2LMNACCR5
SCHEMBL8323098 0.90 LMNA (0.54) GCKPTGER1USP2LMNACCR5
SCHEMBL8323106 0.90 LMNA (0.54) GCKPTGER1USP2LMNACCR5
SCHEMBL8676532 0.86 PTGER1 (0.59) GCKPTGER1LMNAMAPTPTGER4
SCHEMBL8676537 0.86 PTGER1 (0.59) GCKPTGER1LMNAMAPTPTGER4
SCHEMBL8675593 0.84 GCK (0.76) GCKPTGER1LMNACYP1A2SMN1; SMN2
SCHEMBL8325873 0.83 GCK (0.53) GCKPTGER1LMNAPTGER4PTGER3
SCHEMBL8325877 0.83 GCK (0.53) GCKPTGER1LMNAPTGER4PTGER3
SCHEMBL2167875 0.78 PTGER4 (0.67) PTGER1USP2LMNACCR5PTPN1
SCHEMBL2167870 0.78 PTGER4 (0.67) PTGER1USP2LMNACCR5PTPN1

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed