SCHEMBL23445929

SCHEMBL23445929

NC(=O)NCc1cc(N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
KMT2A Q03164 4/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL23446458 0.85 NPSR1 (0.50) SMN1; SMN2MALT1KMT2AALOX15ALDH1A1
SCHEMBL25044387 0.81 RAB9A (0.44) RECQLSMN1; SMN2POLBKMT2ANPC1
SCHEMBL23445930 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL25880492 0.78 ADORA2A (0.42) RECQLSMN1; SMN2POLBCYP2C9CYP2C19
SCHEMBL8122072 0.77 GABRP (0.41) POLBKMT2AKDM4E
SCHEMBL357801 0.75 SMN1; SMN2 (0.73) SMN1; SMN2POLBKMT2AALOX15ALDH1A1
SCHEMBL10061637 0.74 MAPK13 (0.40) POLBKMT2AALOX15ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27694741 0.74 SMN1; SMN2 (0.71) SMN1; SMN2POLBKMT2AALOX15ALDH1A1
SCHEMBL509374 0.73 KDM5B (0.50) SMN1; SMN2POLBKMT2ANPC1RAB9A
SCHEMBL5757316 0.73 RAB9A (0.39) SMN1; SMN2KMT2AALDH1A1ADORA2AADORA1

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