SCHEMBL5501773

SCHEMBL5501773

Cc1cc(C)nc(CCc2cccc(F)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
CASR P41180 1/20 0.36
CHRM4 P08173 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 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
SCHEMBL2290194 0.86 HTR6 (0.39) MEN1KMT2ATDP1L3MBTL1PKM
SCHEMBL5504209 0.86 TAAR1 (0.35) TDP1L3MBTL1PKMLMNACHRM4
SCHEMBL5499313 0.81 NPC1 (0.35) TAAR1KDM4EALDH1A1RAB9A
SCHEMBL5502750 0.79 NPC1 (0.33) LMNATAAR1MAPK1RAB9A
SCHEMBL2292191 0.75 SLC6A3 (0.41) MEN1KMT2AL3MBTL1LMNACHRM4
SCHEMBL5504260 0.73 SMN1; SMN2 (0.40) KMT2AL3MBTL1LMNACHRM4KDM4E
SCHEMBL11138253 0.72 TAAR1 (0.43) TAAR1KDM4EALDH1A1HSD17B10
SCHEMBL5501980 0.72 KMT2A (0.36) MEN1KMT2ATDP1L3MBTL1PKM
SCHEMBL11144300 0.68 GABRA1 (0.44) TAAR1KDM4EALDH1A1HSD17B10
SCHEMBL13590883 0.67 HTT (0.48) TDP1LMNATAAR1HTTALDH1A1

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