SCHEMBL22425992

SCHEMBL22425992

CN[C@H](C)CN(C)Cc1ccc(OC)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PARP1 P09874 1/20 0.39
CYP3A4 P08684 3/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
HTR7 P34969 1/20 0.37
BLM P54132 2/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 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
SCHEMBL22412170 0.87 GAA (0.54) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29684152 0.87 GAA (0.54) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL22425988 0.80 GAA (0.41) GAAALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL31172068 0.80 GAA (0.41) GAAALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL22412145 0.80 GAA (0.41) GAAALDH1A1KDM4ESMN1; SMN2CA2
SCHEMBL28676506 0.78 GAA (0.47) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL28676505 0.78 GAA (0.47) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3720231 0.77 GAA (0.56) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4528153 0.76 GAA (0.67) GAAALDH1A1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL5913154 0.75 GAA (0.65) GAAALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 WO disclosed