SCHEMBL11679987

SCHEMBL11679987

CC(C(N)=O)c1cnc(C2CCCC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CAMK1D Q8IU85 2/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ FLT4 P35916 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11678123 0.98 ABL1 (0.37) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL11678400 0.86 KMO (0.39) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL11684120 0.85 KMO (0.41) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL11678789 0.80 CSNK1D (0.37) JAK2JAK1JAK3PSMB8PSMB9
SCHEMBL11678968 0.79 ALDH1A1 (0.38) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL29457441 0.78 KDM4E (0.50) ABL1KDM4EGLAHTTKMT2A
SCHEMBL11681475 0.78 JAK2 (0.34) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL11678971 0.77 PSMB8 (0.36) ABL1JAK2JAK1JAK3PSMB8
SCHEMBL1847827 0.75 NPC1 (0.36) EPHX1FLT4KDM4ESMN1; SMN2TDP1
SCHEMBL29457355 0.75 KDM4E (0.47) ABL1GLSKDM4EGLAHTT

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-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 — — US disclosed
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