SCHEMBL8939334

SCHEMBL8939334

Cc1cc(-c2cc3c(c(F)c2F)OCO3)n2nc(C(F)(F)F)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.42
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL1681372 0.68 DHODH (0.52) DHODHKCNH2CYP2D6CYP2C9
SCHEMBL9535280 0.68 KDM4E (0.63) DHODH
SCHEMBL27694861 0.65 DHODH (0.52) DHODHKCNH2CYP2D6CYP2C9
SCHEMBL1681588 0.65 DHODH (0.52) DHODHKCNH2
SCHEMBL10407651 0.65 DHODH (0.52) DHODHKCNH2CYP2D6CYP2C9
SCHEMBL10407297 0.65 DHODH (0.52) DHODHKCNH2CYP2D6CYP2C9
SCHEMBL8939337 0.65 DHODH (0.42) DHODH
SCHEMBL9534839 0.65 HSD17B10 (0.49) DHODH
SCHEMBL9535645 0.64 KDM4E (0.48) DHODH
SCHEMBL18611249 0.63 DHODH (0.50) DHODH

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