SCHEMBL23445930

SCHEMBL23445930

CCOC(=O)NCc1cc(N)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM5B Q9UGL1 2/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 2/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPID Q08752 1/20 0.38
PPIG Q13427 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL25044388 0.85 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL23446458 0.80 NPSR1 (0.50) SMN1; SMN2TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL23445929 0.79 RECQL (0.42) SMN1; SMN2ALDH1A1CYP2C19KDM4EGAA
SCHEMBL22861337 0.78 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL31604246 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP1A2KDM4ECYP3A4
SCHEMBL22166068 0.75 TNF (0.46) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL22366449 0.74 L3MBTL1 (0.47) SMN1; SMN2TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL31467556 0.72 PPID (0.66) SMN1; SMN2TSHRCYP1A2CYP2C19KDM4E
SCHEMBL509487 0.71 KDM5B (0.53) ALDH1A1KDM4EGAAKDM5BKDM5A
SCHEMBL10061637 0.71 MAPK13 (0.40) TSHRALDH1A1CYP1A2KDM4ECYP3A4

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
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed