SCHEMBL901398

SCHEMBL901398

COC(=O)C1CCNCC1.Clc1cc(Cl)nc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HTR4 Q13639 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5163 0.80 GABRP (0.52) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
SCHEMBL27030505 0.80 GABRP (0.52) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
Bromide SCHEMBL11553713 0.78 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
Hydrochloric Acid SCHEMBL27569873 0.78 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
Potassium SCHEMBL31108386 0.78 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
Hydrochloric Acid SCHEMBL774514 0.78 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CHRNB2
SCHEMBL25153864 0.77 LMNA (0.51) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL29248610 0.77 LMNA (0.51) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL901378 0.75 LMNA (0.66) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL901803 0.75 PDGFRB (0.50) LMNASMN1; SMN2MEN1KMT2AL3MBTL1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed