SCHEMBL8615451

SCHEMBL8615451

Fc1cc(-c2ncc(Cl)cn2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.50
XDH P47989 4/20 0.49
ERN1 O75460 1/20 0.46
PLAU P00749 1/20 0.45
PTGER1 P34995 3/20 0.44
PRMT5 O14744 1/20 0.44
CTSA P10619 1/20 0.43
KDM1A O60341 2/20 0.41
S1PR5 Q9H228 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL7793991 0.88 XDH (0.53) MRGPRX4XDHERN1PTGER1PRMT5
SCHEMBL8611753 0.86 XDH (0.49) MRGPRX4XDHERN1PTGER1PRMT5
SCHEMBL8616633 0.84 MRGPRX4 (0.48) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL8615551 0.82 ERN1 (0.49) MRGPRX4XDHERN1PLAUPTGER1
SCHEMBL8613062 0.81 ERN1 (0.48) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL8611382 0.79 ALOX5AP (0.47) MRGPRX4ERN1PLAUPTGER1PRMT5
SCHEMBL24363273 0.78 ERN1 (0.50) MRGPRX4XDHERN1PRMT5CTSA
SCHEMBL8612030 0.77 RAB9A (0.58) PRMT5
SCHEMBL8616567 0.77 ALOX5AP (0.43) MRGPRX4PLAUPTGER1KDM1AFEN1
SCHEMBL8616560 0.77 ERN1 (0.49) MRGPRX4XDHERN1PTGER1PRMT5

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-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed