SCHEMBL13668368

SCHEMBL13668368

O=C(Nc1ccc(Cl)cn1)c1oc2ccccc2c1NC(=O)[C@H]1CC[C@H](C(O)N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ TSHR P16473 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ F10 P00742 2/20 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
SCHEMBL13668253 0.88 F10 (0.44) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL13664993 0.88 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL13665002 0.87 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2947159 0.86 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2947155 0.86 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL13668423 0.86 F10 (0.45) MEN1KMT2ASMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL4183044 0.85 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL2950433 0.85 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL4183049 0.85 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL2950431 0.85 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2POLBMAPT

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