SCHEMBL10985182

SCHEMBL10985182

FC(F)(F)c1cccc(NNc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
ALDH1A1 P00352 4/20 0.70
NPSR1 Q6W5P4 3/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CDK2 P24941 1/20 0.52
CDK7 P50613 1/20 0.52
CCNH P51946 1/20 0.52
CCNA1 P78396 1/20 0.52
CDK6 Q00534 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL2925587 0.85 MAPT (0.58) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL29748950 0.85 MAPT (0.58) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL12443228 0.83 MAPT (0.74) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL4093215 0.82 MAPT (0.51) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL5508209 0.78 MAPT (0.51) MAPTALDH1A1NPSR1L3MBTL1CDK1
Hydrochloric Acid SCHEMBL3601015 0.77 MAPT (0.50) MAPTALDH1A1NPSR1L3MBTL1CDK1
SCHEMBL27714137 0.75 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20320380 0.74 IDH2 (0.57) MAPTALDH1A1NPSR1L3MBTL1CDK1
SCHEMBL1921482 0.74 KIF11 (0.70) MAPTALDH1A1NPSR1GAATDP1
SCHEMBL5063880 0.74 MAPT (0.55) MAPTALDH1A1NPSR1L3MBTL1CDK1

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
US-4514417-A Combating fungi with new N-sulphenylated allophanates BAYER AKTIENGESELLSCHAFT (DE) 1985-04-30 US disclosed