SCHEMBL19259049

SCHEMBL19259049

Cc1noc(COCc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 2/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.41
GSTP1 P09211 2/20 0.40
NPC1 O15118 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 2/20 0.39
MAOB P27338 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL653398 0.82 MAPT (0.72) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL4002576 0.82 SIRT2 (0.48) MAPTHSD17B10NPC1SIRT2MEN1
SCHEMBL19259050 0.79 SMN1; SMN2 (0.53) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL37463 0.77 IDO1 (0.70) MAPTCYP2C9CYP2C19IDO1AKR1C3
SCHEMBL4001655 0.73 MAPT (0.64) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL7087223 0.71 IDO1 (0.61) MAPTHSD17B10IDO1LMNAL3MBTL1
SCHEMBL19621588 0.71 IDO1 (0.61) MAPTSMN1; SMN2CYP2C19IDO1LMNA
SCHEMBL11441117 0.71 IDO1 (0.61) MAPTSMN1; SMN2CYP2C19IDO1LMNA
SCHEMBL21753948 0.70 KCNJ1 (0.60) MAPTIDO1LMNAL3MBTL1NPC1
SCHEMBL9347010 0.70 IDO1 (0.59) MAPTSMN1; SMN2IDO1HTTAKR1C3

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
US-9732073-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed