SCHEMBL8799508

SCHEMBL8799508

CCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
RAB9A P51151 2/20 0.41
GHSR Q92847 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
F2R P25116 1/20 0.36
PTGS2 P35354 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8799777 0.91 GPR35 (0.45) GPR35RAB9AGHSRMEN1KMT2A
SCHEMBL8800035 0.90 GHSR (0.40) RAB9AGHSRMEN1KMT2ATHRB
SCHEMBL8800451 0.85 TYK2 (0.42) GHSRMEN1KMT2ATYK2
SCHEMBL8801121 0.83 GPR35 (0.39) GPR35RAB9AGHSRMEN1KMT2A
SCHEMBL8799666 0.83 GHSR (0.42) GHSRMEN1KMT2APOLBPTGS2
SCHEMBL8799385 0.82 GHSR (0.38) RAB9AGHSRTHRBNPC1
SCHEMBL7816603 0.82 MEN1 (0.38) RAB9AGHSRMEN1KMT2ATHRB
SCHEMBL7817213 0.81 MEN1 (0.39) GPR35RAB9AGHSRMEN1KMT2A
SCHEMBL7816579 0.81 GAA (0.46) GPR35RAB9AMEN1KMT2APOLB
SCHEMBL7825606 0.80 GPR35 (0.43) GPR35RAB9AGHSRMEN1KMT2A

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
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed