SCHEMBL21557048

SCHEMBL21557048

Cc1nn(C)c(Oc2ccccc2)c1C=N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.48
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 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
SCHEMBL9672301 0.86 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9262044 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9262039 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9674507 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9673058 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL10567203 0.77 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9673165 0.77 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL10563002 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL30995709 0.74 ALDH1A1 (0.57) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9673356 0.73 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA

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
EP-2419096-B1 STABILIZATION OF RADIOPHARMACEUTICAL COMPOSITIONS USING ASCORBIC ACID LANTHEUS MEDICAL IMAGING INC (US) 2019-11-13 EP disclosed