SCHEMBL9114467

SCHEMBL9114467

NCCCC[C@H](N)C(=O)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.42
▸ ARF6 P62330 8/20 0.41
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MMP2 P08253 1/20 0.34

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
SCHEMBL9114464 1.00 GSR (0.42) GSRARF6TSHRTDP1L3MBTL1
SCHEMBL13342807 0.78 MEN1 (0.45) ARF6TSHRTDP1LMNA
SCHEMBL19625925 0.74 KDM4E (0.49) GSRARF6TSHRTDP1DPP9
SCHEMBL9643351 0.73 GSR (0.46) GSRARF6TDP1DPP9DPP7
SCHEMBL11785475 0.73 LMNA (0.50) TSHRTDP1L3MBTL1LMNA
SCHEMBL28305389 0.73 GSR (0.61) GSRDPP9DPP7DPP8MMP2
SCHEMBL20475718 0.72 GSR (0.47) GSRDPP9DPP7DPP8MMP2
SCHEMBL8039285 0.71 DPP7 (0.44) GSRARF6DPP9DPP7DPP8
SCHEMBL7775127 0.71 GSR (0.50) GSRTDP1L3MBTL1DPP9DPP7
SCHEMBL7775125 0.71 GSR (0.50) GSRTDP1L3MBTL1DPP9DPP7

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
WO-1995022991-A2 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1995-08-31 — — WO disclosed
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