SCHEMBL13664992

SCHEMBL13664992

CN(C)C(=O)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(CCO)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ F10 P00742 8/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TSHR P16473 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KLKB1 P03952 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL13664980 0.91 SMN1; SMN2 (0.44) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL13664967 0.91 SMN1; SMN2 (0.44) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL2943667 0.90 SMN1; SMN2 (0.42) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL2943664 0.90 SMN1; SMN2 (0.42) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL13664961 0.89 SMN1; SMN2 (0.43) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL4325426 0.87 F10 (0.42) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL4325420 0.87 F10 (0.42) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL13664984 0.87 SMN1; SMN2 (0.41) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL13664981 0.87 F10 (0.41) SMN1; SMN2F10HSD17B10MEN1KMT2A
SCHEMBL4331029 0.86 SMN1; SMN2 (0.46) SMN1; SMN2F10HSD17B10MEN1KMT2A

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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