SCHEMBL6590358

SCHEMBL6590358

Cc1ncc(C(=O)/C=C/N(C)C)n1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 8/20 0.37
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6590360 1.00 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3554224 0.83 HTT (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3554226 0.83 HTT (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6593013 0.78 MAPT (0.36) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6593008 0.78 MAPT (0.36) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3551267 0.78 MAPT (0.36) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6593940 0.78 MAPT (0.37) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6593945 0.78 MAPT (0.37) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3551270 0.78 MAPT (0.36) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6598299 0.77 CYP1A2 (0.38) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed