SCHEMBL11540561

SCHEMBL11540561

COc1ccccc1-n1c(=O)cc(OC(C)=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
APLNR P35414 5/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11541711 0.86 MAPT (0.47) TSHRALDH1A1RECQLHSD17B10HTT
SCHEMBL11543010 0.85 HTT (0.42) TSHRAPLNRALDH1A1RECQLHSD17B10
SCHEMBL11542874 0.85 PTPN1 (0.42) TSHRMEN1KMT2AAPLNRALDH1A1
SCHEMBL11541058 0.81 ALDH1A1 (0.42) APLNRALDH1A1RECQLHSD17B10HTT
SCHEMBL11540274 0.81 NPSR1 (0.47) TSHRKMT2AATMALDH1A1RECQL
SCHEMBL11538165 0.81 NPSR1 (0.51) MEN1KMT2AHTT
SCHEMBL11540447 0.80 POLB (0.45) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL11542615 0.80 NPSR1 (0.46) MEN1KMT2AHTT
SCHEMBL11540070 0.77 NPSR1 (0.46) TSHRKMT2AALDH1A1HSD17B10HTT
SCHEMBL11541055 0.77 NPSR1 (0.46) MEN1KMT2AALDH1A1HSD17B10HTT

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-4168312-A Quinolone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-09-18 US claimed