SCHEMBL8103216

SCHEMBL8103216

O=C1NC(c2cccc(F)c2)SC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.36
GFER P55789 1/20 0.36
GRM5 P41594 1/20 0.36
P2RX7 Q99572 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8096940 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8097874 0.81 MAPT (0.49) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8090390 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHPGDTSHRKDM4E
SCHEMBL8097532 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096856 0.81 TSHR (0.46) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8098555 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL8089737 0.81 PBRM1 (0.43) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8103664 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTSHRKDM4E
SCHEMBL8089997 0.78 DDB1 (0.49) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8103668 0.78 MAPT (0.46) ALDH1A1MAPTHPGDTSHRSMN1; SMN2

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