SCHEMBL7995518

SCHEMBL7995518

C[S+]([O-])Cc1ccc(C(=O)c2ccc(I)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TPMT P51580 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ITGA1 P56199 1/20 0.38
SRD5A2 P31213 2/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GSK3B P49841 1/20 0.35
BDKRB2 P30411 1/20 0.34
HTR2A P28223 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL14080936 0.85 CYP3A4 (0.38)
SCHEMBL8005342 0.83 SRD5A2 (0.48) CA1CA2SRD5A2LMNAALDH1A1
SCHEMBL8010797 0.83 LTA4H (0.46) CA1CA2LMNAALDH1A1MAPT
SCHEMBL8004323 0.83 MAPT (0.47) CA1CA2RXRARXRBSRD5A2
SCHEMBL14756873 0.78 KMT2A (0.57) LMNAALDH1A1MAPTHPGDHTT
SCHEMBL1244094 0.74 TPMT (0.65) CA1CA2TPMTITGA1SRD5A2
SCHEMBL3841301 0.74 TPMT (0.65) CA1CA2TPMTITGA1SRD5A2
SCHEMBL9389844 0.74 TPMT (0.65) CA1CA2TPMTITGA1SRD5A2
SCHEMBL25214607 0.74 LOXL2 (0.58) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL8007967 0.71 MAPT (0.47) CA1CA2TPMTRXRARXRB

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
US-6077866-A EXHIBIT POWERFUL INSECTICIDAL ACTION, ESPECIALLY AGAINST LEPIDOPTERA, COLEOPTERA AND SOIL INSECTS NIHON BAYER AGROCHEM K.K. (JP) 2000-06-20 US disclosed
EP-0742202-B1 Benzophenone hydrazone derivatives as insecticides BAYER AGROCHEM KK (JP) 1999-12-01 EP disclosed
EP-0742202-A2 Benzophenone hydrazone derivatives as insecticides NIHON BAYER AGROCHEM K.K. (JP) 1996-11-13 EP disclosed