SCHEMBL28091572

SCHEMBL28091572

CCOc1nccc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LRRK2 Q5S007 1/20 0.40
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RPS6KA5 O75582 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
IKBKB O14920 1/20 0.34
MAPT P10636 1/20 0.33
MAPK8 P45983 1/20 0.33
GRM5 P41594 1/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL911553 0.80 DYRK1A (0.41) KMT2AMEN1L3MBTL1MAPK1IKBKB
SCHEMBL5942394 0.77 HPGD (0.65) HPGDSMN1; SMN2LRRK2GAATSHR
SCHEMBL31701134 0.74 SMN1; SMN2 (0.43) HPGDSMN1; SMN2LRRK2GAATSHR
SCHEMBL18556111 0.73 L3MBTL1 (0.43) HPGDSMN1; SMN2LRRK2GAATDP1
SCHEMBL31053616 0.72 NOS2 (0.39) SMN1; SMN2TDP1KMT2AMEN1RPS6KA5
SCHEMBL11812262 0.72 GAA (0.51) HPGDSMN1; SMN2GAATSHRNPC1
SCHEMBL1966363 0.72 NOS2 (0.39) SMN1; SMN2TDP1KMT2AMEN1RPS6KA5
SCHEMBL9042332 0.72 L3MBTL1 (0.43) HPGDSMN1; SMN2TSHRTDP1NPC1
SCHEMBL17377252 0.71 ALDH1A1 (0.40) HPGDSMN1; SMN2GAATSHRTDP1
SCHEMBL5942693 0.71 HPGD (0.47) HPGDSMN1; SMN2LRRK2GAATSHR

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-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed