SCHEMBL9534494

SCHEMBL9534494

CSc1nc2nc(C)cc(-c3ccccc3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 7/20 1.00
HPGD P15428 7/20 1.00
HSD17B10 Q99714 3/20 1.00
SMN1; SMN2 Q16637 4/20 0.67
CKS1B P61024 4/20 0.62
SKP2 Q13309 4/20 0.62
MAPT P10636 6/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE10A Q9Y233 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL463061 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9538826 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL18499244 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9833924 0.82 CKS1B (0.84) KDM4EALDH1A1HPGDHSD17B10CKS1B
SCHEMBL9537347 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9534978 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9534983 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9537071 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15707810 0.76 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9535280 0.75 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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