SCHEMBL8096940

SCHEMBL8096940

O=C1NC(c2cccc(F)c2)SC1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
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
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.36
GRM5 P41594 1/20 0.36
P2RX7 Q99572 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL8097655 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTSHRKDM4E
SCHEMBL8103216 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8090455 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8089623 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8099137 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8096948 0.81 PBRM1 (0.46) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8089669 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHR
SCHEMBL8103622 0.78 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHRGRM5
SCHEMBL8089861 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL8099399 0.78 MAPT (0.49) ALDH1A1MAPTHPGDTSHRNPC1

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