SCHEMBL8939337

SCHEMBL8939337

Cc1cc(-c2cccc(C(O)(O)F)c2C(O)(O)F)n2nc(C(F)(F)F)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.42
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL9535280 0.74 KDM4E (0.63) DHODHKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9534839 0.72 HSD17B10 (0.49) DHODHKDM4EHSD17B10KMT2AUSP2
SCHEMBL9535645 0.71 KDM4E (0.48) DHODHKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1681372 0.69 DHODH (0.52) DHODHKMT2AALDH1A1
SCHEMBL1681588 0.66 DHODH (0.52) DHODHKMT2AALDH1A1
SCHEMBL10407651 0.66 DHODH (0.52) DHODHKMT2AALDH1A1
SCHEMBL10407297 0.66 DHODH (0.52) DHODHKMT2AALDH1A1
SCHEMBL27694861 0.66 DHODH (0.52) DHODHKMT2AALDH1A1
SCHEMBL8939334 0.65 DHODH (0.42) DHODH
SCHEMBL20539054 0.65 DHODH (0.49) DHODHHSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500407-A Triazolopyrimidine herbicides CIBA-GEIGY CORPORATION (US) 1996-03-19 US disclosed
EP-0642512-A1 TRIAZOLOPYRIMIDINE HERBICIDES CIBA-GEIGY AG (CH) 1995-03-15 EP disclosed
WO-1994021640-A1 TRIAZOLOPYRIMIDINE HERBICIDES CIBA-GEIGY AG (CH) 1994-09-29 WO disclosed