SCHEMBL30216415

SCHEMBL30216415

CCOC(=O)c1nnsc1NC(=O)C(CC)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.62
TSHR P16473 1/20 0.58
ALDH1A1 P00352 5/20 0.53
POLB P06746 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL30216400 0.95 ILK (0.56) ILKTSHRALDH1A1POLBSMN1; SMN2
SCHEMBL30216520 0.87 POLB (0.54) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL31689083 0.83 POLB (0.53) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL31062636 0.80 USP36 (0.53) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL4956705 0.79 POLB (0.53) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL30216440 0.79 KCNQ2 (0.54) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL30216371 0.78 ILK (0.66) ILKTSHRALDH1A1POLBSMN1; SMN2
SCHEMBL5146303 0.77 ILK (1.00) ILKTSHRALDH1A1POLBSMN1; SMN2
SCHEMBL30216457 0.76 USP36 (0.64) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL25368688 0.75 ILK (0.78) ILKTSHRALDH1A1POLBSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
EP-4408833-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME The Trustees of The University of Pennsylvania (US) 2024-08-07 EP disclosed
WO-2023049919-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-03-30 WO disclosed