SCHEMBL14217565

SCHEMBL14217565

CCNC(=O)c1ccc2nnn(CC(=O)c3ccc(N4CCC(NS(=O)(=O)c5ccc6ccccc6c5)CC4)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TPSAB1 Q15661 3/20 0.39
▸ CCR8 P51685 1/20 0.38
▸ HTR1A P08908 3/20 0.37
▸ MGAM O43451 3/20 0.37
▸ AMY1A P0DUB6 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ SI P14410 3/20 0.37
▸ MGAM2 Q2M2H8 3/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SFRP1 Q8N474 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL10194566 0.86 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1TPSAB1CCR8
SCHEMBL10144866 0.74 DRD4 (0.45) HTR1ASLC6A2SLC6A4
SCHEMBL8350065 0.74 HDAC6 (0.56) SMN1; SMN2KMT2AALDH1A1TPSAB1CCR8
SCHEMBL10194565 0.74 SFRP1 (0.60) SMN1; SMN2KMT2AALDH1A1TPSAB1DPP4
SCHEMBL14217625 0.70 ALDH1A1 (0.46) SMN1; SMN2KMT2AALDH1A1TPSAB1CCR8
SCHEMBL10194631 0.69 HDAC6 (0.57) SMN1; SMN2KMT2AALDH1A1TPSAB1DPP4
SCHEMBL10327746 0.67 KMT2A (0.46) SMN1; SMN2KMT2AALDH1A1TPSAB1CCR8
SCHEMBL10194626 0.67 HDAC8 (0.50) SMN1; SMN2KMT2AALDH1A1CCR8GAA
SCHEMBL10175958 0.66 HDAC3 (0.44) HTR1A
SCHEMBL14765415 0.66 DRD4 (0.43) HTR1ASLC6A2SLC6A4

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
EP-1485354-B1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 — — EP disclosed
Send feedback