SCHEMBL10940936

SCHEMBL10940936

COc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.47
AR P10275 2/20 0.42
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10613566 0.86 PPOX (0.65) PPOXARKMT2ATSHRL3MBTL1
SCHEMBL10935874 0.82 AR (0.45) PPOXARKMT2AALDH1A1MAPT
SCHEMBL10939313 0.77 PPOX (0.54) PPOXARPOLBTHRB
SCHEMBL13879455 0.77 KDM4E (0.56) ARKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL8685948 0.76 PPOX (0.53) PPOXARKMT2APOLB
SCHEMBL11554852 0.76 KMT2A (0.51) PPOXARKMT2AL3MBTL1ALDH1A1
SCHEMBL10611058 0.76 PPOX (0.63) PPOXKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL10938117 0.75 PPOX (0.51) PPOXARSMN1; SMN2HTR1A
SCHEMBL10440318 0.75 AR (0.45) PPOXARKMT2ATSHRALDH1A1
SCHEMBL1514017 0.75 AR (0.43) ARKMT2ATSHRL3MBTL1ALDH1A1

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-0070389-B1 2-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL) HYDANTOINS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-02 EP claimed