SCHEMBL23458469

SCHEMBL23458469

c1cc(-c2cn3nccnc3n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 7/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GLA P06280 3/20 0.44
DYRK1A Q13627 3/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10797169 0.87 RAB9A (0.64) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL9702278 0.83 RAB9A (0.53) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL17750392 0.83 RAB9A (0.60) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL9701997 0.83 RAB9A (0.60) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL9700913 0.81 RAB9A (0.51) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL10803663 0.79 APP (0.51) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL9560123 0.74 ALDH1A1 (0.78) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL23143322 0.74 DYRK1A (0.47) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL9702800 0.72 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23486250 0.72 RAB9A (0.40) RAB9ANPC1KMT2ASMN1; 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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed