SCHEMBL6010809

SCHEMBL6010809

O=C(Nc1cc(Cl)cc2nc(N3CCCNCC3)oc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
IRAK4 Q9NWZ3 4/20 0.43
GPR35 Q9HC97 1/20 0.42
BRPF1 P55201 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDH2 P48735 1/20 0.39
HTR6 P50406 1/20 0.39
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
Hydrochloric Acid SCHEMBL6010656 0.99 F10 (0.43) F10IRAK4GPR35BRPF1HDAC3
SCHEMBL6010815 0.86 CHRNB2 (0.39) F10IRAK4HTR6
SCHEMBL6010899 0.83 CHRNB2 (0.37) F10IRAK4HTR6KDM4E
Hydrochloric Acid SCHEMBL6010829 0.83 CHRNB2 (0.37) F10IRAK4HTR6KDM4E
SCHEMBL6010871 0.81 ACACB (0.37) F10IRAK4HTR6
SCHEMBL6010852 0.81 HTR6 (0.48) HTR6NCF1
SCHEMBL6010862 0.79 HTR6 (0.40) HTR6CYP1A2
SCHEMBL6010844 0.79 CHRNB2 (0.38) HTR6NCF1
Hydrochloric Acid SCHEMBL6010978 0.79 HTR6 (0.39) HTR6CYP1A2
SCHEMBL6010864 0.76 CHRNB2 (0.43) HTR6NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed