SCHEMBL7315465

SCHEMBL7315465

CCc1nn(C(C)(C)C)c(N)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MAPT P10636 5/20 0.36
MAPK1 P28482 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 5/20 0.33
HSD17B10 Q99714 4/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7313785 0.77 GAA (0.47) GAAMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL3715950 0.77 KMT2A (0.41) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31194569 0.77 GAA (0.55) GAAMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL8914855 0.75 HPGD (0.33) GAASMN1; SMN2TSHRHPGD
SCHEMBL31194577 0.75 GAA (0.54) GAAMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL4171729 0.74 GAA (0.55) GAASMN1; SMN2HPGD
SCHEMBL3716061 0.73 TSHR (0.43) GAAMAPTMAPK1SMN1; SMN2LMNA
SCHEMBL31194662 0.72 GAA (0.51) GAAMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL3721267 0.72 KMT2A (0.36) MAPTSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL7316030 0.71 ALDH1A1 (0.45) GAAMAPTMAPK1SMN1; SMN2MEN1

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
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed