SCHEMBL7418680

SCHEMBL7418680

CCS(=O)(=O)c1ncccc1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
COMT P21964 1/20 0.41
DPP4 P27487 1/20 0.39
PSIP1 O75475 2/20 0.39
LOXL2 Q9Y4K0 3/20 0.36
GAA P10253 2/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR9 P51686 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LOX P28300 1/20 0.33
PAX8 Q06710 1/20 0.33
NPY1R P25929 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL7416794 0.88 LOXL2 (0.42) KMT2ACOMTDPP4PSIP1LOXL2
SCHEMBL4793133 0.85 KMT2A (0.39) KMT2ACOMTDPP4LOXL2GAA
SCHEMBL7416470 0.84 KMT2A (0.42) KMT2ADPP4LOXL2P2RX7CCR9
SCHEMBL18283289 0.82 COMT (0.41) KMT2ACOMTPSIP1GAAP2RX7
SCHEMBL17372075 0.81 DPP4 (0.41) KMT2ADPP4LOXL2KDM4EMAPT
SCHEMBL7533479 0.80 DPP4 (0.36) KMT2ADPP4LOXL2CCR9MAOA
SCHEMBL21061787 0.78 KMT2A (0.56) KMT2ACOMTPSIP1GAAP2RX7
SCHEMBL7423716 0.76 DPP4 (0.37) KMT2ADPP4LOXL2CCR9NFE2L2
SCHEMBL10834405 0.76 COMT (0.51) KMT2ACOMTPSIP1GAAKDM4E
SCHEMBL7417140 0.75 FEN1 (0.43) KMT2ACOMTDPP4LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed