SCHEMBL17993986

SCHEMBL17993986

CNC(=O)c1ccc(I)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.56
▸ GRM5 P41594 1/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC1 Q13547 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PLK1 P53350 7/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ HPGDS O60760 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ STAMBP O95630 1/20 0.42
▸ COPS5 Q92905 1/20 0.42
▸ HCAR3 P49019 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL24470049 0.81 MPO (0.48) HDAC6HDAC1HTTCA2
SCHEMBL7962334 0.80 BAZ2B (0.74) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL13451410 0.78 BAZ2B (0.57) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL3952478 0.78 HDAC6 (0.72) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL13184552 0.78 BAZ2B (0.57) BAZ2BGRM5HDAC6HDAC2HDAC8
SCHEMBL8219501 0.78 KCNJ1 (0.46) HDAC6HDAC1HPGDTSHRSMN1; SMN2
SCHEMBL27909687 0.77 RXFP1 (0.44) HDAC6HDAC1HPGDHTTSMN1; SMN2
SCHEMBL4918065 0.77 MAPK1 (0.65) TSHRHPGDSCA2
SCHEMBL29670483 0.77 MAPK1 (0.65) TSHRHPGDSCA2
SCHEMBL103123 0.77 RAB9A (0.61) BAZ2BSMN1; SMN2

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-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 — — EP disclosed
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