SCHEMBL14893166

SCHEMBL14893166

NCCc1cnc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TKT P29401 1/20 0.40
RECQL P46063 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Bromide SCHEMBL11817206 0.98 DPP4 (0.45) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL3080426 0.79 KMT2A (0.49) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL4464844 0.78 DPP4 (0.59) DPP4LMNAMAPK1MEN1KMT2A
SCHEMBL25066775 0.75 LMNA (0.46) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL9821280 0.75 LMNA (0.43) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL4461787 0.74 DPP4 (0.59) DPP4SMN1; SMN2LMNAATMNPC1
SCHEMBL18381563 0.73 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL31515074 0.73 KMT2A (0.49) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL14951416 0.73 KMT2A (0.49) DPP4SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL31515073 0.73 KMT2A (0.49) DPP4SMN1; SMN2LMNAALDH1A1ATM

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
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP disclosed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed