SCHEMBL11546804

SCHEMBL11546804

CCn1c(=O)n(CC)c2cc(NC(=O)CC(C)=O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.62
▸ MAPT P10636 5/20 0.62
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ HPD P32754 1/20 0.44

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
SCHEMBL11545418 0.79 SMN1; SMN2 (0.74) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10386822 0.79 KDM4E (0.57) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11551548 0.79 KDM4E (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL593172 0.72 MAPT (0.74) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL20332043 0.71 NOTUM (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL17434593 0.70 RORC (0.64) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10386027 0.69 NLRP3 (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11548746 0.69 PSMB8 (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6205386 0.69 HPD (0.58) KDM4EMAPTALDH1A1KMT2ACYP1A2
SCHEMBL8752439 0.69 MEN1 (0.66) KDM4EMAPTALDH1A1MEN1KMT2A

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-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 — — US disclosed
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