SCHEMBL20525543

SCHEMBL20525543

CC(CN)NCc1ccc(CNC(C)CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
ALDH1A1 P00352 2/20 0.47
KCNH2 Q12809 3/20 0.40
TMEM97 Q5BJF2 3/20 0.40
BCHE P06276 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 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
SCHEMBL11235861 0.92 SMN1; SMN2 (0.51) SIGMAR1ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL1516416 0.90 TAAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29787841 0.90 IDO1 (0.50) SIGMAR1ALDH1A1KCNH2TMEM97SMN1; SMN2
SCHEMBL24801993 0.89 SIGMAR1 (0.68) SIGMAR1BCHESMN1; SMN2KDM4E
SCHEMBL3112736 0.89 SIGMAR1 (0.68) SIGMAR1BCHESMN1; SMN2KDM4E
SCHEMBL29787770 0.87 ALDH1A1 (0.50) SIGMAR1ALDH1A1KCNH2TMEM97MEN1
SCHEMBL20502219 0.87 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL29501164 0.87 ALDH1A1 (0.45) SIGMAR1ALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL17509724 0.85 MEN1 (0.44) SIGMAR1ALDH1A1KCNH2TMEM97BCHE
SCHEMBL12954738 0.85 ALDH1A1 (0.71) SIGMAR1ALDH1A1KCNH2TMEM97MEN1

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-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP claimed
EP-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP disclosed