SCHEMBL8097531

SCHEMBL8097531

O=C1C(O)SCN1c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MPI P34949 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
P2RX7 Q99572 1/20 0.34
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8090389 0.83 ALDH1A1 (0.43) MGLLLMNAALDH1A1MEN1KMT2A
SCHEMBL8099488 0.82 MAOA (0.47) MGLLHSD11B1ALDH1A1KMT2AHTT
SCHEMBL8103211 0.82 FADS1 (0.44) FAAHMGLLMPIDRD2DRD3
SCHEMBL8096854 0.82 ATM (0.48) MGLLHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL8089618 0.82 FAAH (0.42) FAAHMGLLMPIDRD2DRD3
SCHEMBL8097433 0.80 MEN1 (0.44) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL8089994 0.79 MGLL (0.45) MGLLDRD2DRD3LMNAKMT2A
SCHEMBL8103666 0.78 ALOX5 (0.42) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL8099371 0.78 NSD2 (0.50) DRD2DRD3KCNH2
SCHEMBL5827269 0.78 MEN1 (0.43) MPIDRD2DRD3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed