SCHEMBL19675353

SCHEMBL19675353

COC(=O)c1cn(CC(C)(C)N=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.67
GAA P10253 2/20 0.64
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CNR1 P21554 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.52
BRD4 O60885 1/20 0.51
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL15882147 0.85 NR4A2 (0.72) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL19675355 0.85 ALDH1A1 (0.57) NR4A2LMNAMAPTL3MBTL1KMT2A
SCHEMBL31429438 0.82 NR4A2 (0.76) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL19675319 0.82 CNR1 (0.48) NR4A2CNR1BRD4KDM4E
SCHEMBL19675182 0.82 ALDH1A1 (0.64) NR4A2GAALMNASMN1; SMN2L3MBTL1
SCHEMBL1855462 0.80 NR4A2 (1.00) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL6297494 0.79 NR4A2 (0.76) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL2042864 0.79 NR4A2 (0.71) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL2948572 0.78 NR4A2 (0.65) NR4A2GAALMNASMN1; SMN2MAPT
SCHEMBL6984456 0.78 NR4A2 (0.78) NR4A2GAALMNASMN1; SMN2MAPT

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
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed