SCHEMBL19445763

SCHEMBL19445763

COc1ccc(NC(=O)[C@H](C)CCCNC(C)=N)cc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SLC22A1 O15245 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL19445593 0.85 HSD17B10 (0.41) LMNAPOLBTSHRHSD17B10SMN1; SMN2
SCHEMBL19445753 0.85 HSD17B10 (0.48) LMNATSHRHSD17B10KDM4ESMN1; SMN2
SCHEMBL19445682 0.85 SMN1; SMN2 (0.40) LMNAPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL19445573 0.84 LMNA (0.39) LMNAPOLBTSHRHSD17B10ALDH1A1
SCHEMBL13973873 0.84 LMNA (0.42) LMNAPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL19445591 0.81 TSHR (0.39) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL19445628 0.81 LMNA (0.38) LMNAPOLBKDM4ESMN1; SMN2QPCT
SCHEMBL13815093 0.81 AAK1 (0.43) LMNAPOLB
SCHEMBL19445664 0.78 NPY4R (0.41) TSHR
SCHEMBL19445850 0.77 NPC1 (0.42) LMNAPOLBTSHRHSD17B10ALDH1A1

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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