SCHEMBL13665011

SCHEMBL13665011

CCCNC(=O)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HSD17B10 Q99714 5/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ MAPT P10636 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ TSHR P16473 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ DHODH Q02127 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL13744974 0.88 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL4312980 0.87 KMT2A (0.62) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL4312968 0.87 KMT2A (0.62) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL13664997 0.87 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL4318011 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL2949472 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL4318005 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL2949468 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL13744493 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL2940128 0.86 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10KMT2AMEN1MAPT

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
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
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