SCHEMBL8103224

SCHEMBL8103224

O=C1C(Cl)SCN1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
FPR1 P21462 1/20 0.37
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36

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
SCHEMBL8097654 0.84 ALOX15 (0.43) ALDH1A1POLBMAPTALOX15TSHR
SCHEMBL8097217 0.83 CTSG (0.41) NPC1MAPT
SCHEMBL8105245 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8090453 0.80 ATM (0.48) MEN1KMT2ANPC1ALDH1A1ATM
SCHEMBL8097791 0.80 L3MBTL1 (0.45) KMT2AALDH1A1MAPTGRM2
SCHEMBL8089618 0.80 FAAH (0.42) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL8096938 0.80 FADS1 (0.44) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL8089858 0.78 POLB (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8098667 0.78 HDAC1 (0.38) FPR1GSK3AGSK3BGRM2
SCHEMBL8097196 0.78 MGLL (0.45) KMT2AALDH1A1MAPTSMN1; SMN2GRM2

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 5 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
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed