SCHEMBL9744128

SCHEMBL9744128

C=CCOC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1.[Na]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.69
▸ KMT2A Q03164 7/20 0.68
▸ MEN1 O00255 6/20 0.68
▸ DRD3 P35462 1/20 0.67
▸ KDM4E B2RXH2 8/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ HPGD P15428 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ BRD4 O60885 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ HIF1A Q16665 1/20 0.63
▸ USP2 O75604 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ PIK3CD O00329 3/20 0.60
▸ PIK3R1 P27986 3/20 0.60
▸ PIK3CA P42336 3/20 0.60

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
SCHEMBL9744118 0.98 HSD17B10 (0.69) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL9744111 0.91 KDM4E (0.65) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL27397656 0.90 HSD17B10 (0.78) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL29548937 0.90 HSD17B10 (0.78) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL10677674 0.87 HSD17B10 (0.74) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL2961241 0.86 HSD17B10 (0.78) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL10678719 0.86 HSD17B10 (0.72) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL4768364 0.84 HSD17B10 (0.75) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL30306133 0.84 HSD17B10 (0.75) HSD17B10KMT2AMEN1DRD3KDM4E
SCHEMBL10728289 0.84 HSD17B10 (0.69) HSD17B10KMT2AMEN1DRD3KDM4E

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-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 — — US disclosed
Send feedback