SCHEMBL5485475

SCHEMBL5485475

O=C(CNc1cnc(N2CCOCC2)nc1C(=O)O)NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD11B1 P28845 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL3114918 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL5485473 0.76 POLB (0.43) POLBBRAFALDH1A1KDM4EHSD11B1
SCHEMBL4140382 0.70 MERTK (0.53) POLBBRAFALDH1A1KDM4EHSD11B1
SCHEMBL4139629 0.70 MERTK (0.52) POLBBRAFALDH1A1KDM4EHSD11B1
SCHEMBL1014624 0.70 HSD11B1 (0.62) POLBBRAFHSD11B1LMNATSHR
SCHEMBL31364757 0.70 POLB (0.60) POLBALDH1A1KDM4EHTTTSHR
SCHEMBL15866476 0.69 POLB (0.57) POLBBRAFALDH1A1KDM4EGAA
SCHEMBL1014425 0.69 HSD11B1 (0.61) POLBBRAFALDH1A1HSD11B1LMNA
SCHEMBL1015182 0.69 HSD11B1 (0.61) POLBBRAFALDH1A1HSD11B1LMNA
SCHEMBL27681040 0.69 ALDH1A1 (0.76) POLBALDH1A1KDM4ELMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO disclosed
Send feedback