SCHEMBL28574129

SCHEMBL28574129

Cc1cc(N)cc2nc(-c3ccccc3N)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
MAPT P10636 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
KDM4E B2RXH2 6/20 0.52
TP53 P04637 4/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
ADORA2A P29274 5/20 0.45
ADORA1 P30542 1/20 0.45
RPS6KA3 P51812 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42

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
SCHEMBL11751281 0.77 RAB9A (0.57) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL28587627 0.77 RAB9A (0.49) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL21612970 0.77 NPC1 (0.82) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL21612964 0.76 L3MBTL1 (0.54) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL28568343 0.75 MAPT (0.57) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL24292387 0.74 TSHR (0.47) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL7914742 0.74 RAB9A (0.73) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL31193700 0.74 RAB9A (0.73) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL29873766 0.71 RPS6KA3 (0.64) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL27667250 0.71 RAB9A (0.61) RAB9AMAPTNPC1SMN1; SMN2KDM4E

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
CN-112243436-A Diamine compound and method for producing same 东洋纺株式会社 2021-01-19 CN disclosed