SCHEMBL8719273

SCHEMBL8719273

Clc1nc(Cl)c2[nH]cnc2n1.[KH]

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
XDH P47989 1/20 0.58
KDM4E B2RXH2 1/20 0.47
PDPK1 O15530 1/20 0.42
GDA Q9Y2T3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TMIGD3 P0DMS9 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
POLA1 P09884 1/20 0.40

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
SCHEMBL37384 0.98 DPP4 (0.66) DPP4XDHKDM4EPDPK1GDA
Hydrochloric Acid SCHEMBL4763244 0.96 DPP4 (0.63) DPP4XDHKDM4EPDPK1GDA
SCHEMBL11456967 0.96 DPP4 (0.63) DPP4XDHKDM4EPDPK1GDA
Alcohol SCHEMBL27897029 0.87 DPP4 (0.54) DPP4XDHKDM4ESMN1; SMN2TMIGD3
Purine SCHEMBL10869621 0.81 KDM4E (0.50) DPP4XDHKDM4ESMN1; SMN2TMIGD3
6-Chloroguanine SCHEMBL8715991 0.80 DPP4 (0.96) DPP4PDPK1GDA
Tetrabuthylammonium SCHEMBL3029323 0.79 POLA1 (0.48) DPP4XDHADORA3POLA1
SCHEMBL24500763 0.78 XDH (0.56) DPP4XDHKDM4EPDPK1GDA
SCHEMBL2997392 0.78 DPP4 (0.61) DPP4XDHKDM4EPDPK1GDA
SCHEMBL5935896 0.78 CDK2 (0.61) DPP4XDHKDM4EPDPK1GDA

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-5821357-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST TWO MOLAR EQUIVALENTS OF METAL DERIVATIVE OF NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
EP-0577303-B1 Stereoselective glycosylation process LILLY CO ELI (US) 1997-10-01 EP disclosed
EP-0577303-A1 Stereoselective glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 EP disclosed