SCHEMBL9834892

SCHEMBL9834892

CC(C)Oc1cc(N=C=O)c(F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DHODH Q02127 2/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL9834949 0.86 CYP3A4 (0.37) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL10824307 0.85 NAAA (0.33) HTR2AHTR2CHTR2BXDH
SCHEMBL9528915 0.83 CYP3A4 (0.37) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL7021771 0.82 PPOX (0.40) ALDH1A1CYP3A4HPGDTDP1DHODH
SCHEMBL9814255 0.78 CUL4A (0.41) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL5846557 0.77 CYP3A4 (0.42) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL10986658 0.74 CA12 (0.36) ALDH1A1HPGD
SCHEMBL30017045 0.74 CYP3A4 (0.42) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL9851164 0.73
SCHEMBL15321040 0.72 CYP3A4 (0.46) ALDH1A1CYP3A4HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed