SCHEMBL10940947

SCHEMBL10940947

CCOC(=O)C1CCCCN1C(=O)N(F)c1ccc(Cl)c(OC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
FKBP1A P62942 3/20 0.40
PPOX P50336 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL10940940 0.77 PPOX (0.44) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9836600 0.70 RORC (0.40) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL9727578 0.69 TSHR (0.53) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727572 0.68 KMT2A (0.49) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727391 0.68 MEN1 (0.47) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL8895085 0.67 PPOX (0.54) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL5485208 0.67 FKBP1A (0.63) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727452 0.67 TSHR (0.50) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727251 0.67 ALDH1A1 (0.45) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727445 0.67 TSHR (0.55) MEN1KMT2ATSHRMAPK1RECQL

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 2 patents. 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 disclosed
US-4437877-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed