SCHEMBL8039248

SCHEMBL8039248

O=C(NC(=S)N[C@@]1(c2ccccc2F)C[C@H](OCc2ccc(F)c(F)c2)CC1CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 9/20 0.36
ALOX12 P18054 5/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
SCN9A Q15858 1/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
NTRK1 P04629 1/20 0.32
DRD4 P21917 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HDAC4 P56524 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8030379 1.00 EPHX1 (0.40) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL3772199 1.00 EPHX1 (0.40) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL3772201 1.00 EPHX1 (0.40) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL2619950 1.00 EPHX1 (0.40) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL8028436 0.86 EPHX1 (0.44) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL2619933 0.86 EPHX1 (0.44) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL8034256 0.86 EPHX1 (0.44) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL2933449 0.86 EPHX1 (0.44) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL2619928 0.86 EPHX1 (0.44) EPHX1ALDH1A1ALOX12LMNAKMT2A
SCHEMBL2109591 0.85 EPHX1 (0.41) EPHX1ALDH1A1ALOX12LMNAKMT2A

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed