SCHEMBL7425499

SCHEMBL7425499

O=C(O)c1ccc(Oc2cncc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
PTGER4 P35408 1/20 0.53
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 1/20 0.49

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
SCHEMBL28068268 0.85 PARP15 (0.55) HCAR2PARP15PARP10SRD5A2
SCHEMBL7429971 0.83 ALDH1A1 (0.52)
SCHEMBL11545406 0.79 LTA4H (0.48) XDHSLC22A12
SCHEMBL10236868 0.79 RXRA (0.66) HCAR2
SCHEMBL1995706 0.79 TSHR (0.74) PARP15PARP10SRD5A2
SCHEMBL28347124 0.78 MAP4K4 (0.49) PTGER4XDHSLC22A12
SCHEMBL28347123 0.78 MAP4K4 (0.49) PTGER4XDHSLC22A12
SCHEMBL30335327 0.78 MAP4K4 (0.49) PTGER4XDHSLC22A12
SCHEMBL15011761 0.77 RXRA (0.63) PTGER4PARP15PARP10SRD5A2
SCHEMBL30982340 0.77 RXRA (0.63) PTGER4PARP15PARP10SRD5A2

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
WO-2000048993-A1 ARYLAMINOALKYLAMIDES NOVARTIS AG (CH) 2000-08-24 WO disclosed