SCHEMBL9820330

SCHEMBL9820330

CCn1cc(C(=O)OC(=O)c2cn(CC)c3nc(N4CC(N)CC4C)c(F)cc3c2=O)c(=O)c2cc(F)c(N3CC(N)CC3C)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ATP6V1B2 P21281 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ TARBP2 Q15633 1/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ GAA P10253 4/20 0.43
▸ RAD52 P43351 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9820325 0.93 LMNA (0.53) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9046650 0.85 LMNA (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9043221 0.83 DRD3 (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9148668 0.72 LMNA (0.62) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9148662 0.72 LMNA (0.62) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10474475 0.72 KMT2A (0.70) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13576345 0.72 KMT2A (0.70) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9043957 0.72 KMT2A (0.70) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9044640 0.71 DPP4 (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10677290 0.71 LMNA (0.71) KDM4EALDH1A1HSD17B10HPGDLMNA

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-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 — — US disclosed
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