SCHEMBL4327128

SCHEMBL4327128

CN(C)C(=O)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ POLB P06746 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MAPT P10636 6/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ TSHR P16473 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ TP53 P04637 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46

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
SCHEMBL4327123 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL2940131 0.91 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL2940128 0.91 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13664997 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1POLBRXFP1
Hydrochloric Acid SCHEMBL2947078 0.90 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1POLBRXFP1
Hydrochloric Acid SCHEMBL2947082 0.90 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13664998 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13664995 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13290972 0.90 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL4312980 0.89 KMT2A (0.62) SMN1; SMN2KMT2AMEN1POLBRXFP1

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
EP-1666478-A1 CARBAMOYL-TYPE BENZOFURAN DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 — — EP disclosed
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