SCHEMBL9535645

SCHEMBL9535645

Cc1cc(-c2cccc(Cl)c2)n2nc(C(F)(F)F)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
DHODH Q02127 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 2/20 0.41

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
SCHEMBL9534839 0.86 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL9535280 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9538733 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9538048 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9536061 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL20539885 0.77 DHODH (0.64) HSD17B10DHODH
SCHEMBL1681588 0.75 DHODH (0.52) ALDH1A1DHODH
SCHEMBL8939337 0.71 DHODH (0.42) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL11898278 0.70 DHODH (0.74) ALDH1A1HSD17B10DHODHSMN1; SMN2
SCHEMBL9537071 0.70 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP claimed
EP-0440659-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-14 EP claimed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO claimed
WO-1990001030-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-08 WO claimed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP claimed
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed