SCHEMBL8103220

SCHEMBL8103220

O=C1CSC(c2ccccc2)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.63
HTR7 P34969 4/20 0.56
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
CACNA1B Q00975 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL27881749 0.94 GFER (0.61) GFERHTR7ALDH1A1KMT2ACA1
SCHEMBL22691586 0.88 GFER (0.48) GFERHTR7ALDH1A1KMT2ACACNA1B
SCHEMBL11055602 0.86 POLB (0.71) GFERHTR7ALDH1A1KMT2ACACNA1B
SCHEMBL4744263 0.85 HTR7 (0.58) GFERHTR7ALDH1A1KMT2ACA1
SCHEMBL4743953 0.85 GFER (0.60) GFERHTR7ALDH1A1KMT2ACA1
SCHEMBL28491691 0.84 HTR7 (0.58) GFERHTR7ALDH1A1KMT2APTGS1
SCHEMBL28491694 0.84 HTR7 (0.58) GFERHTR7ALDH1A1KMT2APTGS1
SCHEMBL4747970 0.83 KMT2A (0.61) GFERHTR7ALDH1A1KMT2ACACNA1B
SCHEMBL4744306 0.83 HTR7 (0.53) GFERHTR7ALDH1A1KMT2ACA1
SCHEMBL4743939 0.83 ALDH1A1 (0.61) GFERHTR7ALDH1A1KMT2ACA1

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