SCHEMBL5504209

SCHEMBL5504209

Cc1nc(C)nc(CCc2cccc(F)c2N)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.32
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.32
ADORA1 P30542 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
SCHEMBL5501773 0.86 MEN1 (0.38) TAAR1TDP1L3MBTL1PKMRAB9A
SCHEMBL5502108 0.81 GAA (0.37) TAAR1AOC3RAB9ANPC1SMN1; SMN2
SCHEMBL5502750 0.80 NPC1 (0.33) TAAR1AOC3RAB9ANPC1LMNA
SCHEMBL5499313 0.79 NPC1 (0.35) TAAR1RAB9ANPC1HPGDKDM4E
SCHEMBL5502210 0.76 CHRM4 (0.32) CHRM4ADORA1
SCHEMBL11138253 0.73 TAAR1 (0.43) TAAR1AOC3HPGDKDM4E
SCHEMBL2290194 0.71 HTR6 (0.39) TDP1L3MBTL1PKMCHRM4KDM4E
SCHEMBL5502762 0.71 TDP1 (0.33) TDP1L3MBTL1ADORA1
SCHEMBL11144300 0.69 GABRA1 (0.44) TAAR1AOC3HPGDKDM4E
SCHEMBL28225361 0.68 CYP1A2 (0.46) RAB9ANPC1

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-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed