SCHEMBL9535280

SCHEMBL9535280

Cc1cc(-c2ccccc2)n2nc(C(F)(F)F)nc2n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 4/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
CKS1B P61024 2/20 0.49
SKP2 Q13309 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE10A Q9Y233 1/20 0.48
DHODH Q02127 1/20 0.48

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 0.87 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10DHODH
SCHEMBL9535645 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL18499244 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9538826 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9537347 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9534983 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9537071 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9534978 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL10438761 0.77 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9534494 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT

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-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