SCHEMBL17670518

SCHEMBL17670518

CSC(C)N(C(C)=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.41
NOS1 P29475 1/20 0.39
PARP1 P09874 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP4 Q9UKK3 2/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 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
SCHEMBL8425370 0.80 PARP10 (0.43) PARP10NOS1PARP1HSD17B10POLB
SCHEMBL28272038 0.80 LMNA (0.46) MAPTTSHRTDP1L3MBTL1KMT2A
SCHEMBL28742524 0.71 NOS1 (0.48) PARP10NOS1PARP1HSD17B10POLB
SCHEMBL3205714 0.70 SMN1; SMN2 (0.49) PARP10NOS1PARP1HSD17B10POLB
SCHEMBL1128718 0.70 PARP10 (0.50) PARP10NOS1PARP1HSD17B10POLB
SCHEMBL7790315 0.68 PARP10 (0.48) PARP10NOS1PARP1HSD17B10POLB
Terephthalamide SCHEMBL28199658 0.67 PARP1 (0.67) PARP10NOS1PARP1HSD17B10POLB
Terephthalamide SCHEMBL1906838 0.67 PARP1 (0.67) PARP10NOS1PARP1HSD17B10POLB
SCHEMBL632045 0.67 ALDH1A1 (0.67) PARP10PARP1HSD17B10POLBCYP3A4
SCHEMBL2677499 0.67 PLK1 (0.57) PARP10NOS1PARP1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404947-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-12-21 US disclosed
US-11771665-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-10-03 US disclosed
US-20220347126-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2022-11-03 US disclosed
US-11406607-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2022-08-09 US disclosed
US-20160102052-A1 Use of Cysteamine in Treating Infections caused by Yeasts/Moulds NOVABIOTICS LIMITED (GB) 2016-04-14 US disclosed