SCHEMBL7423230

SCHEMBL7423230

CCS(=O)(=O)C(CN)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
KCNN4 O15554 2/20 0.41
KCNA5 P22460 2/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL7418677 0.80 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1LMNAKCNN4KCNA5
SCHEMBL3099891 0.73 CFTR (0.43) SMN1; SMN2L3MBTL1LMNAKCNN4KCNA5
SCHEMBL7416791 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1LMNAKCNN4KCNA5
SCHEMBL14928668 0.72 TAAR1 (0.57) SMN1; SMN2L3MBTL1LMNACFTRSLC6A2
SCHEMBL2569574 0.72 TAAR1 (0.57) SMN1; SMN2L3MBTL1LMNACFTRSLC6A2
SCHEMBL4196224 0.71 CFTR (0.57) SMN1; SMN2KCNN4KCNA5CFTRSLC6A2
Hydrochloric Acid SCHEMBL27645555 0.70 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1LMNACFTRSLC6A2
SCHEMBL6074090 0.70 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1LMNAKCNA5CFTR
SCHEMBL1609153 0.70 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1LMNAKCNA5CFTR
SCHEMBL3525890 0.70 CFTR (0.50) SMN1; SMN2L3MBTL1LMNAKCNN4KCNA5

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